data_2m38_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2m38 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 C--O 1.237 0.424 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.583 ' SG ' HG12 ' A' ' 68' ' ' VAL . 30.2 p -124.58 140.96 52.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.91 0.386 . . . . 0.0 110.34 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -124.93 116.93 22.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.872 -177.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -132.23 166.51 21.7 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.062 0.458 . . . . 0.0 111.684 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -101.08 108.52 20.24 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.58 177.96 4.7 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.421 ' CB ' HG23 ' A' ' 61' ' ' VAL . . . -123.38 123.64 41.14 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 176.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -72.71 102.53 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.649 0.261 . . . . 0.0 110.373 -176.555 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.412 ' HA ' HG22 ' A' ' 61' ' ' VAL . 31.1 tp -78.32 -58.93 3.0 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.415 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.46 155.09 21.64 Favored Glycine 0 N--CA 1.438 -1.206 0 C-N-CA 119.031 -1.557 . . . . 0.0 113.937 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.414 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 8.7 p -110.35 95.8 5.8 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 175.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 tpp -88.25 127.53 35.46 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.021 0.439 . . . . 0.0 111.939 -174.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.412 HD23 ' CE1' ' A' ' 118' ' ' TYR . 3.1 tm? -81.86 123.69 29.04 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.586 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.8 mm -108.73 127.52 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.53 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -67.57 -60.77 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.5 127.62 53.21 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.41 HD11 ' H ' ' A' ' 36' ' ' GLY . 2.8 tm? -77.98 110.94 13.34 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.52 -176.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -107.2 28.33 8.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.241 0.543 . . . . 0.0 110.642 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.41 ' H ' HD11 ' A' ' 34' ' ' LEU . . . 87.88 -144.18 18.66 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.816 177.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.3 p -69.69 -12.46 61.65 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 122.613 0.365 . . . . 0.0 111.618 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -60.35 -43.51 96.43 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -62.8 -41.64 99.37 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.058 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.9 p -70.44 -41.78 72.41 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.766 0.317 . . . . 0.0 111.217 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -65.4 -42.52 92.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.781 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.69 -49.4 76.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.548 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.6 -46.72 89.21 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.897 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.83 -60.32 3.98 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.57 -50.74 71.03 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -59.52 -51.51 69.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.222 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.429 ' HE2' ' CG1' ' A' ' 121' ' ' VAL . 20.6 ttp -70.92 -40.78 71.89 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -176.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -63.41 -36.73 84.7 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.77 -29.88 58.93 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 121.057 0.456 . . . . 0.0 110.291 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -77.16 -20.77 55.03 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.203 0.525 . . . . 0.0 110.367 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.6 t . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.406 -179.234 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.421 HG23 ' CB ' ' A' ' 24' ' ' ALA . 2.8 m . . . . . 0 CA--C 1.536 0.407 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 4.0 Cg_endo -46.26 137.74 13.87 Favored 'Trans proline' 0 C--N 1.366 1.498 0 C-N-CA 124.018 3.145 . . . . 0.0 113.568 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.0 m -79.74 135.22 36.46 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.969 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -134.0 133.97 55.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 C-N-CA 123.857 0.863 . . . . 0.0 108.887 179.363 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.8 mt -77.58 107.43 9.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-O 121.318 0.58 . . . . 0.0 110.003 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.71 103.48 15.99 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.01 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -111.51 116.6 31.14 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 121.28 0.562 . . . . 0.0 110.012 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.583 HG12 ' SG ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -119.75 129.03 75.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.8 -177.492 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.5 t -131.61 160.55 35.02 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.637 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.82 -11.32 60.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.139 0.495 . . . . 0.0 110.903 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -101.29 -11.07 19.75 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.706 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.429 ' HA2' ' N ' ' A' ' 89' ' ' ILE . . . 159.59 162.01 11.78 Favored Glycine 0 CA--C 1.5 -0.848 0 C-N-CA 119.746 -1.216 . . . . 0.0 112.684 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.3 t -119.76 133.2 67.29 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.132 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.1 137.17 52.95 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 121.493 0.663 . . . . 0.0 111.694 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.491 ' O ' ' HB ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -114.17 115.71 27.91 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.229 -178.605 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.465 ' O ' HG12 ' A' ' 64' ' ' ILE . 4.4 mp -122.57 138.64 52.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 20.3 t70 -70.08 140.99 52.84 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.83 -20.76 28.66 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.0 m -89.34 -54.56 4.04 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 120.87 0.366 . . . . 0.0 111.593 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -103.58 8.23 37.62 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.562 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 14.0 ptmm? 49.78 27.06 2.11 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.906 0.882 . . . . 0.0 111.251 -177.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -61.23 124.67 21.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.519 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.401 HG21 ' O ' ' A' ' 83' ' ' ILE . 7.3 tp -75.7 82.52 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-O 121.913 0.863 . . . . 0.0 109.301 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.491 ' HB ' ' O ' ' A' ' 75' ' ' PHE . 67.8 mt -56.72 -58.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.07 -177.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -174.12 145.54 1.07 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -121.75 108.11 13.13 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 174.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -120.21 144.22 47.84 Favored 'General case' 0 C--N 1.308 -1.202 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.145 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -59.87 144.96 47.38 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.944 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.457 HD13 ' O ' ' A' ' 89' ' ' ILE . 0.3 OUTLIER -63.48 -24.1 35.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.451 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -67.99 -12.89 61.63 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.028 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -89.76 -14.69 34.04 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.295 0.569 . . . . 0.0 110.135 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.5 mt -85.58 132.61 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.3 t -98.6 -43.47 6.83 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.665 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.421 ' HB2' HG12 ' A' ' 108' ' ' ILE . 50.5 m -152.78 155.21 36.72 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.368 -178.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.11 116.17 15.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.398 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -123.1 179.1 4.8 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.613 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -145.34 170.32 16.54 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -70.08 134.84 87.33 Favored Pre-proline 0 C--N 1.319 -0.738 0 O-C-N 123.144 0.278 . . . . 0.0 110.283 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.28 -34.1 87.19 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.318 2.678 . . . . 0.0 114.044 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -114.22 -21.98 10.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -109.23 95.98 5.99 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.9 11.77 3.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.383 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.5 t -107.11 8.05 29.98 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-O 121.752 0.787 . . . . 0.0 108.903 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.1 m -127.17 120.64 29.28 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.864 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 122' ' ' PHE . 36.4 p90 -118.36 141.04 48.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.949 0.404 . . . . 0.0 111.523 -177.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -137.07 116.2 12.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.275 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -116.98 151.55 36.47 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 121.042 0.449 . . . . 0.0 111.492 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.421 HG12 ' HB2' ' A' ' 94' ' ' CYS . 0.0 OUTLIER -107.52 133.94 50.76 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.95 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.935 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.0 p -118.96 165.59 13.9 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.6 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -101.42 85.79 2.85 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 173.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.54 94.75 1.73 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.723 -177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.6 mt -58.16 -36.77 73.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.297 -1.319 . . . . 0.0 113.05 -174.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -75.82 -15.25 60.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.943 0.402 . . . . 0.0 111.442 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.1 m -103.72 -19.32 14.35 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.573 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 61.47 23.24 13.53 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.62 0.724 . . . . 0.0 109.942 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -140.05 -169.48 2.75 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.707 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -127.14 123.64 37.25 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.184 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.412 ' CE1' HD23 ' A' ' 30' ' ' LEU . 34.7 m-85 -100.81 126.74 47.41 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.705 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 90.4 m -83.28 102.75 12.16 Favored 'General case' 0 N--CA 1.433 -1.323 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -89.29 104.64 17.17 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.429 ' CG1' ' HE2' ' A' ' 47' ' ' MET . 3.3 p -112.93 128.85 69.45 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.415 -177.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 43.4 m-85 -126.67 148.39 49.84 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.446 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 66.6 p -104.86 123.51 47.83 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.39 168.72 16.32 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.239 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -102.26 11.62 37.9 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -162.6 140.43 8.35 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.425 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.84 -51.69 63.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.561 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -58.5 -40.07 81.8 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.961 0.41 . . . . 0.0 110.089 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.7 tt -56.53 -53.0 62.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.025 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.47 -46.76 87.02 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.22 83.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.999 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -64.03 -44.53 92.27 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.008 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.0 mt -58.43 -46.78 89.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.37 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 31.4 mm -55.73 -48.41 77.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.058 0.456 . . . . 0.0 110.482 177.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.74 -43.83 92.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.621 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.4 m -63.16 -41.51 99.26 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.372 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 85.8 mt -63.8 -50.29 69.53 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.016 0.436 . . . . 0.0 110.379 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.2 -46.3 94.5 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.317 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -61.76 -42.96 99.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 0.0 110.61 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.43 -47.61 84.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.993 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -67.1 -36.86 82.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.595 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.67 -47.92 76.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.5 p -72.06 -26.4 25.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.266 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 121.043 0.449 . . . . 0.0 110.589 178.776 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.444 -0.746 0 CA-C-O 120.894 0.378 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.7 t -115.71 108.52 16.47 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -92.66 104.85 17.09 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.618 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -112.79 172.34 6.99 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.394 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -116.84 112.6 21.33 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.02 177.6 4.76 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.427 ' HB2' ' OG1' ' A' ' 123' ' ' THR . . . -117.44 131.13 56.8 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.443 178.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -72.86 98.4 2.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.388 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.4 tp -78.4 -62.19 1.76 Allowed 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.21 152.78 12.48 Favored Glycine 0 N--CA 1.439 -1.144 0 C-N-CA 118.782 -1.675 . . . . 0.0 114.14 176.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p -104.11 112.54 25.58 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 173.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.2 tpp -104.64 139.24 39.78 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -173.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -82.36 116.9 22.05 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.6 mm -96.39 114.6 33.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-O 121.103 0.477 . . . . 0.0 111.245 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.463 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 30.2 mtmm -90.36 -50.08 6.17 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -93.08 97.86 10.96 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.353 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -78.41 98.06 5.88 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ptm85 -122.87 36.52 4.63 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.958 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.59 -131.56 31.94 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.052 -0.976 . . . . 0.0 113.27 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.5 p -67.54 -12.97 61.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.95 0.405 . . . . 0.0 111.741 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -71.57 -36.95 71.07 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 178.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.4 m -65.88 -43.09 89.36 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.111 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.496 HG23 ' SG ' ' A' ' 119' ' ' CYS . 24.1 p -66.13 -36.25 82.64 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.255 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -66.88 -42.57 85.36 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.839 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.41 -49.86 76.17 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.812 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.68 -49.27 73.82 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.35 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.4 t -61.1 -48.55 81.14 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.839 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.77 94.41 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 120.929 0.395 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -56.1 -51.73 66.86 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.969 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 61.7 mtm -79.53 -31.33 42.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -63.29 -28.4 69.99 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.32 -39.97 14.88 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.573 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -67.41 -36.16 80.73 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -177.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.466 0.359 0 CA-C-O 120.863 0.364 . . . . 0.0 111.406 -178.656 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.421 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 9.5 m . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 120.56 0.219 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 61' ' ' VAL . 35.1 Cg_exo -60.54 149.8 84.95 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.064 2.509 . . . . 0.0 113.007 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.9 m -85.06 135.38 34.03 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.677 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.9 OUTLIER -123.7 133.03 70.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.782 178.681 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.1 mt -79.22 106.55 10.43 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 CA-C-O 121.468 0.651 . . . . 0.0 109.283 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.42 94.19 9.78 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.571 -178.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.2 p -96.21 94.6 7.59 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.271 0.558 . . . . 0.0 110.267 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.9 p -96.31 122.46 47.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.318 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.8 t -132.85 151.46 52.02 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.165 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.45 -19.62 66.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.414 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -98.58 0.37 44.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.233 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.51 144.84 4.01 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.837 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.4 t -110.67 122.75 65.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 121.252 0.548 . . . . 0.0 110.897 -178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -108.54 133.62 52.43 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.873 -178.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.479 ' HB3' HD11 ' A' ' 64' ' ' ILE . 25.7 m-85 -116.3 101.44 8.68 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.255 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.3 mt -114.55 139.76 38.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.381 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.692 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 3.4 t70 -74.99 144.29 43.2 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.365 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.15 -12.87 22.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 m -69.61 -54.75 12.49 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -123.5 3.78 9.02 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.382 0.611 . . . . 0.0 109.944 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.692 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 3.9 ttmp? 64.56 29.16 13.24 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.028 -178.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -77.45 140.66 39.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.861 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.6 tp -75.1 112.7 12.94 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-O 121.183 0.516 . . . . 0.0 110.654 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.7 mm -71.66 -55.82 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -179.48 161.15 1.03 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.678 -1.146 . . . . 0.0 109.798 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -141.48 119.39 11.9 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -116.78 141.53 48.09 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.796 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -71.65 146.78 48.06 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 173.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.9 tp -54.27 -33.16 24.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 120.859 0.361 . . . . 0.0 111.525 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -63.12 -25.82 68.54 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.2 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -81.68 -21.69 37.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.916 0.389 . . . . 0.0 110.712 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.5 mt -79.66 113.45 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.1 m -90.34 -38.67 13.2 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.866 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 30.3 t -138.68 151.48 47.22 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.874 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.7 101.81 4.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.401 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -114.89 -175.49 2.7 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 120.969 0.414 . . . . 0.0 111.117 -177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -153.35 171.64 18.29 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.281 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.42 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 12.3 t70 -71.73 133.29 84.56 Favored Pre-proline 0 C--N 1.318 -0.773 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.533 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 39.7 Cg_exo -59.38 -36.29 94.48 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.157 2.572 . . . . 0.0 113.528 -179.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -103.71 -26.17 12.85 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.976 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -113.49 104.64 12.47 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.179 0.514 . . . . 0.0 110.68 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.07 15.85 2.63 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.44 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.9 t -105.64 -0.47 25.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.914 0.387 . . . . 0.0 110.349 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.0 t -130.87 134.65 46.98 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 121.23 0.538 . . . . 0.0 110.773 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 41.0 p90 -122.17 150.94 41.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.137 -176.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.02 114.9 9.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.34 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.43 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 38.2 p90 -107.38 159.27 16.52 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 120.907 0.384 . . . . 0.0 111.191 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.6 mt -116.67 122.2 69.38 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.5 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.9 p -128.15 174.96 8.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.984 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -148.93 116.57 6.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.037 0.446 . . . . 0.0 111.324 178.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -86.06 170.18 12.47 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.796 176.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.2 tp -68.92 -21.84 64.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.87 0.367 . . . . 0.0 111.164 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -102.19 10.7 39.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.123 0.487 . . . . 0.0 110.391 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.6 m -103.22 78.53 1.64 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.233 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -58.99 -37.68 77.42 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 175.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.463 ' CD2' ' HA ' ' A' ' 32' ' ' LYS . 8.0 m80 -98.09 147.13 24.86 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.608 173.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -76.85 143.57 39.61 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 120.726 0.298 . . . . 0.0 111.05 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -108.39 115.79 30.77 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.968 0.413 . . . . 0.0 110.798 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.496 ' SG ' HG23 ' A' ' 40' ' ' THR . 52.6 t -86.6 118.71 26.19 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 72.6 m80 -106.18 106.54 17.1 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.862 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.1 p -109.98 130.09 63.76 Favored 'Isoleucine or valine' 0 C--O 1.255 1.387 0 CA-C-O 121.225 0.536 . . . . 0.0 111.04 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -128.81 138.58 52.14 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.023 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' THR . . . . . 0.427 ' OG1' ' HB2' ' A' ' 24' ' ' ALA . 36.0 p -95.61 121.27 37.13 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.179 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.416 ' HB1' HD23 ' A' ' 129' ' ' LEU . . . -85.05 154.06 22.32 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -84.32 -4.17 58.7 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.04 0.448 . . . . 0.0 110.513 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -146.02 137.11 24.59 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.841 -178.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.7 -54.72 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.868 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.67 -32.94 72.12 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.038 0.447 . . . . 0.0 110.632 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.416 HD23 ' HB1' ' A' ' 124' ' ' ALA . 9.4 tt -59.92 -51.71 68.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.527 177.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.72 -39.51 94.28 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.75 90.9 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.124 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.74 -35.4 80.02 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.601 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 64.6 mt -56.79 -46.73 83.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 49.2 mm -61.31 -45.06 99.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.413 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.1 -43.43 98.86 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.602 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 27.1 m -63.85 -39.26 93.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.324 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.11 -43.69 94.53 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.961 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.75 -50.0 71.82 Favored Glycine 0 C--O 1.245 0.812 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -58.37 -42.45 87.01 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.94 99.49 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -58.33 -50.25 74.31 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.716 0.293 . . . . 0.0 111.119 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.91 -44.59 61.05 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -177.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.16 -32.81 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 120.748 0.308 . . . . 0.0 111.606 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.409 0 CA-C-O 121.03 0.443 . . . . 0.0 110.551 178.938 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.5 p . . . . . 0 C--O 1.239 0.513 0 CA-C-O 121.166 0.508 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.5 m -109.86 134.27 52.24 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.152 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -116.12 115.42 26.03 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.407 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -125.05 134.2 52.63 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.407 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -90.94 120.24 31.78 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.039 0.447 . . . . 0.0 110.872 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.8 165.91 15.83 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.15 125.93 50.08 Favored 'General case' 0 C--N 1.308 -1.226 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.128 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.467 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.6 OUTLIER -71.55 93.51 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.361 -177.778 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.419 ' HA ' HG11 ' A' ' 61' ' ' VAL . 38.0 tp -72.43 -59.78 2.56 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.366 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -174.43 171.53 44.64 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 119.599 -1.286 . . . . 0.0 112.983 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.486 ' C ' ' HE2' ' A' ' 29' ' ' MET . 25.5 p -131.4 102.12 5.82 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.486 ' HE2' ' C ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -84.86 156.16 21.41 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.946 0.403 . . . . 0.0 110.617 -179.045 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.476 HD13 ' CE1' ' A' ' 118' ' ' TYR . 18.6 tp -107.52 110.63 22.59 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 mm -116.3 118.53 59.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.668 -173.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.58 -38.51 10.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.2 177.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -94.52 55.6 1.98 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.834 177.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.516 HD23 ' H ' ' A' ' 34' ' ' LEU . 1.6 pt? -69.35 132.34 46.25 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.567 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.9 mtm-85 -123.08 37.06 4.51 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.388 0.613 . . . . 0.0 109.839 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.11 -124.64 6.63 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.678 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 30.1 p -67.44 -14.16 62.68 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.382 0.61 . . . . 0.0 111.498 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -65.02 -45.27 86.19 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.718 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.445 ' OG ' ' HA ' ' A' ' 34' ' ' LEU . 14.2 m -67.56 -40.18 84.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.218 -177.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.403 ' HB ' ' HB3' ' A' ' 106' ' ' ALA . 25.1 p -65.26 -44.89 86.65 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.454 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -67.29 -39.98 86.02 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.304 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -56.66 -57.14 13.68 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.815 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.419 ' HB2' ' SD ' ' A' ' 29' ' ' MET . . . -63.33 -41.45 98.89 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.0 t -56.05 -62.45 1.69 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.14 86.18 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.655 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -55.62 -56.65 17.9 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.632 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.42 ' HE1' ' SD ' ' A' ' 29' ' ' MET . 58.9 mtm -77.62 -25.18 49.58 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.511 -0.475 . . . . 0.0 111.974 -179.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -64.32 -30.83 71.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.265 0.555 . . . . 0.0 109.696 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.75 -27.61 21.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.469 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -76.13 -37.36 58.12 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.136 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.7 p . . . . . 0 N--CA 1.471 0.596 0 CA-C-O 120.847 0.356 . . . . 0.0 111.33 -178.263 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.419 HG11 ' HA ' ' A' ' 26' ' ' LEU . 15.8 m . . . . . 0 N--CA 1.444 -0.765 0 CA-C-O 120.5 0.191 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -81.76 155.38 18.0 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.7 m -89.32 134.01 34.24 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.478 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.405 HD12 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -126.43 131.44 71.39 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.912 -178.791 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.1 mp -84.95 111.46 20.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 76.6 mt -86.59 97.23 10.42 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.002 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.1 m -90.44 92.55 8.93 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 p -99.2 126.06 52.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.309 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.5 m -132.37 153.34 50.86 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.216 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.86 -17.09 48.16 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -177.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -102.7 -12.74 17.44 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 170.93 164.43 26.63 Favored Glycine 0 CA--C 1.509 -0.339 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.084 -177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.8 t -126.91 135.79 62.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 120.994 0.426 . . . . 0.0 111.189 -178.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -118.55 136.11 54.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.117 178.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.405 ' HB3' HD12 ' A' ' 64' ' ' ILE . 5.0 m-85 -116.6 107.19 14.41 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.7 mp -117.2 142.61 30.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 CA-C-O 120.669 0.271 . . . . 0.0 110.515 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.673 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 2.3 t70 -79.6 145.94 32.81 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.596 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.28 -17.69 22.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.833 0.349 . . . . 0.0 111.552 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -75.06 -57.8 3.68 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.491 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -111.3 -8.02 14.37 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.794 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.673 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 14.0 mmmm 71.69 29.42 2.56 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.315 -177.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -66.3 129.2 39.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.043 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.0 tp -76.25 88.17 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 CA-C-O 121.966 0.888 . . . . 0.0 108.702 175.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.7 mt -60.86 -57.18 13.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.015 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.89 160.74 31.33 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 119.722 -0.791 . . . . 0.0 112.643 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -141.3 134.54 29.46 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.953 -1.021 . . . . 0.0 108.716 175.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.57 154.92 29.32 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.329 178.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -66.33 141.09 58.1 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.564 HD11 ' O ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.05 -27.99 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 CA-C-O 120.849 0.356 . . . . 0.0 111.473 -176.123 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -7.5 34.44 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.435 ' ND2' HG21 ' A' ' 109' ' ' THR . 0.1 OUTLIER -84.61 -13.6 51.15 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.962 0.41 . . . . 0.0 110.446 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.9 mt -82.51 105.17 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.8 t -72.9 -40.21 65.74 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.085 -175.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.4 t -151.54 152.09 32.46 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.383 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.78 124.5 26.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.566 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -141.84 172.92 12.02 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.831 0.348 . . . . 0.0 111.297 -178.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.483 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 18.8 pt20 -141.46 168.78 18.94 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.265 178.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -70.37 136.6 86.39 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.756 -178.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -63.06 -39.53 39.21 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.913 2.408 . . . . 0.0 113.674 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -99.07 -33.54 10.76 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.816 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -104.79 106.17 16.55 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.295 0.569 . . . . 0.0 109.989 177.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -84.33 13.9 4.91 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.427 -176.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.1 t -109.59 -1.41 18.19 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.892 0.377 . . . . 0.0 110.271 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.7 m -119.48 133.44 55.69 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.223 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.483 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 40.7 p90 -134.88 158.24 44.76 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.859 0.362 . . . . 0.0 110.835 -178.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.403 ' HB3' ' HB ' ' A' ' 40' ' ' THR . . . -148.6 136.32 20.66 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.304 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -123.49 140.18 53.26 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-O 121.297 0.57 . . . . 0.0 111.24 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.3 mt -93.38 119.16 40.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.846 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.435 HG21 ' ND2' ' A' ' 91' ' ' ASN . 0.2 OUTLIER -113.39 139.99 48.43 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.598 -174.102 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -89.69 103.87 16.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.547 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -103.89 99.1 8.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.123 0.487 . . . . 0.0 110.93 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.6 mt -68.09 -14.47 63.0 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.823 -176.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -74.15 -28.0 61.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.721 0.296 . . . . 0.0 110.735 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 116' ' ' HIS . 10.9 t -111.49 -23.36 10.77 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.478 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.1 t30 75.48 -38.75 0.37 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.929 0.892 . . . . 0.0 111.065 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.406 ' H ' ' C ' ' A' ' 114' ' ' SER . 3.5 t-160 -73.71 128.43 35.49 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.02 129.85 42.16 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -177.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.476 ' CE1' HD13 ' A' ' 30' ' ' LEU . 67.5 m-85 -102.74 145.49 29.64 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.513 177.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 43.7 t -120.49 105.64 11.04 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 176.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -96.15 109.68 22.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.395 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.7 p -106.95 127.04 62.89 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.578 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 18.0 m-85 -124.59 148.8 47.64 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.155 -178.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 32.9 p -102.55 120.11 39.97 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.869 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.2 150.97 27.1 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -85.27 8.89 16.88 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 120.736 0.303 . . . . 0.0 110.409 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.4 ' OD2' ' HB3' ' A' ' 128' ' ' ASN . 21.0 t70 -166.85 142.57 4.36 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.743 -178.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 89.4 t -62.8 -48.39 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.533 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.4 ' HB3' ' OD2' ' A' ' 126' ' ' ASP . 7.9 t30 -60.87 -42.33 97.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.107 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.58 -47.07 80.35 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.836 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.8 -44.24 97.11 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.735 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.8 96.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.798 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -58.87 -46.73 87.12 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.327 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 55.1 mt -58.11 -53.59 43.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.062 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.409 HD11 ' HB2' ' A' ' 105' ' ' PHE . 45.8 mm -57.84 -44.62 86.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.33 -49.06 79.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.694 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 23.6 m -65.54 -43.84 88.71 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.251 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.08 -48.05 83.34 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.853 0.358 . . . . 0.0 110.517 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.28 -45.13 96.61 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.249 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.608 HE21 ' HA ' ' A' ' 139' ' ' GLN . 0.0 OUTLIER -63.26 -43.61 97.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.656 0.265 . . . . 0.0 110.665 179.23 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.96 -43.92 97.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.755 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -66.9 -37.42 84.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.236 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.99 -53.58 53.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.73 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.0 p -67.93 -25.54 32.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.944 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.29 177.862 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 N--CA 1.446 -0.634 0 CA-C-O 121.05 0.452 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.494 ' HB2' HG11 ' A' ' 68' ' ' VAL . 99.0 m -152.35 107.64 3.28 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.422 176.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -101.89 120.66 40.75 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.213 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.453 ' HB3' HD23 ' A' ' 129' ' ' LEU . 75.8 m-85 -135.34 148.39 49.43 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.675 0.274 . . . . 0.0 111.287 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -99.42 107.91 20.25 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.829 0.347 . . . . 0.0 110.075 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.33 175.49 5.59 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.483 ' HB1' ' OG1' ' A' ' 123' ' ' THR . . . -101.69 130.57 48.09 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-O 120.752 0.31 . . . . 0.0 110.659 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.459 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 5.6 t80 -72.72 100.46 2.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.286 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.1 tp -84.25 -64.49 1.15 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.391 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.9 161.64 25.5 Favored Glycine 0 C--N 1.34 0.802 0 C-N-CA 118.919 -1.61 . . . . 0.0 113.899 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 120' ' ' HIS . 9.1 t -115.14 115.85 27.43 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 177.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -118.35 136.26 53.83 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.963 0.411 . . . . 0.0 111.344 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.2 tp -89.34 124.17 34.19 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.825 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.7 mm -97.73 136.63 27.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.819 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -75.01 -52.11 11.91 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.021 0.439 . . . . 0.0 110.003 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -122.47 103.0 8.42 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.701 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -70.78 114.05 8.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.26 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -120.49 86.02 2.49 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.215 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.19 -129.6 32.3 Favored Glycine 0 C--N 1.329 0.148 0 CA-C-N 115.558 -0.746 . . . . 0.0 113.612 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -98.08 7.89 45.6 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.492 0.663 . . . . 0.0 110.441 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -73.12 -46.11 53.06 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.3 m -57.47 -42.98 83.64 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.972 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.7 p -65.51 -44.22 87.69 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.404 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -63.4 -41.51 98.76 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.81 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -54.47 -59.52 4.57 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.146 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' ' 47' ' ' MET . . . -60.5 -45.17 94.76 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.13 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.9 t -57.92 -56.37 22.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.74 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.84 -49.78 76.35 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.961 0.41 . . . . 0.0 111.681 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -65.32 -38.52 90.43 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.761 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 13.6 ttm -71.13 -44.68 65.1 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.292 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -64.39 -36.19 83.36 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.968 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.44 99.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.324 178.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -73.26 -30.22 63.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.706 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 38.8 t . . . . . 0 N--CA 1.469 0.52 0 C-N-CA 122.807 0.443 . . . . 0.0 111.856 -178.362 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.418 HG23 ' HB3' ' A' ' 24' ' ' ALA . 4.0 m . . . . . 0 N--CA 1.442 -0.842 0 CA-C-O 120.818 0.342 . . . . 0.0 110.17 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.06 138.25 84.34 Favored 'Trans proline' 0 C--O 1.241 0.645 0 C-N-CA 122.943 2.429 . . . . 0.0 113.177 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.2 m -74.52 132.46 41.86 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.475 HG23 ' CE1' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -126.2 137.64 57.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.998 -177.23 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 60.4 mt -89.04 107.69 18.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.401 0.62 . . . . 0.0 110.162 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.2 mt -87.21 103.68 15.66 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.786 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.463 ' HB2' ' CG ' ' A' ' 74' ' ' LYS . 15.1 m -100.63 97.9 8.52 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-O 121.014 0.435 . . . . 0.0 109.897 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.494 HG11 ' HB2' ' A' ' 19' ' ' CYS . 2.4 p -100.75 129.13 52.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.385 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.3 p -129.29 164.85 22.62 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.72 -10.75 29.57 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -113.11 5.44 17.1 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 148.51 -176.28 27.38 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 119.637 -1.268 . . . . 0.0 112.704 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.1 m -130.5 136.13 59.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.336 0.589 . . . . 0.0 111.392 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.463 ' CG ' ' HB2' ' A' ' 67' ' ' SER . 22.6 pttp -126.08 110.31 13.39 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.59 0.71 . . . . 0.0 109.629 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.421 ' HB3' HD13 ' A' ' 64' ' ' ILE . 21.9 m-85 -94.44 106.0 17.97 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.71 -178.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.0 mt -110.89 146.57 15.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.926 -174.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.515 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 23.0 t70 -70.48 145.53 50.87 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.03 -18.08 29.73 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.3 m -97.23 -50.69 4.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.789 0.328 . . . . 0.0 111.513 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -99.06 -10.6 22.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.852 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.515 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 68.2 mttm 62.78 27.66 16.15 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.54 0.686 . . . . 0.0 110.119 -177.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -75.61 135.14 40.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.511 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.558 HD11 ' H ' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -71.75 108.82 3.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.402 0.62 . . . . 0.0 109.569 175.775 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 84.6 mt -90.61 -53.47 8.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.192 -176.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -144.7 110.96 5.54 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.092 0.472 . . . . 0.0 111.59 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -115.74 120.08 38.14 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -145.24 148.46 33.53 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.6 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.59 154.97 40.51 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.6 tt -67.65 -14.42 18.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.376 0.607 . . . . 0.0 110.52 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.8 mmm-85 -64.54 -22.93 67.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.456 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -86.13 -7.08 58.84 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.248 0.547 . . . . 0.0 110.326 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.9 mt -97.76 141.07 16.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.1 p -113.31 -34.58 5.59 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.2 t -153.38 166.61 32.12 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.941 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -143.41 112.66 6.77 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -123.66 172.67 8.64 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.144 0.497 . . . . 0.0 111.337 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.429 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 25.0 pt20 -138.14 177.01 8.2 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.99 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 15.0 t70 -89.36 130.08 45.12 Favored Pre-proline 0 C--N 1.315 -0.926 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.598 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 30.5 Cg_exo -63.01 -37.71 51.38 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.05 2.5 . . . . 0.0 114.155 -178.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -92.14 -36.91 13.05 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.674 -0.411 . . . . 0.0 111.749 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 103' ' ' SER . 17.6 t70 -115.54 94.97 4.93 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mp -76.58 18.84 0.3 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.657 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 101' ' ' ASP . 8.0 t -108.15 0.17 21.4 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.8 m -120.1 127.06 52.19 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.6 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.429 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 46.3 p90 -130.78 152.6 49.95 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.083 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.37 116.64 9.54 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.609 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 120' ' ' HIS . 50.5 p90 -94.81 148.14 22.61 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.944 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 56.9 mt -107.73 125.74 64.17 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.53 -177.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 12.8 p -117.1 151.75 36.17 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.942 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.23 81.51 1.62 Allowed 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.463 0.649 . . . . 0.0 110.478 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.75 117.67 12.56 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.653 -178.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.456 ' H ' HD22 ' A' ' 112' ' ' LEU . 2.2 pt? -58.21 -18.13 23.93 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -95.38 -22.97 17.38 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.663 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.416 ' O ' ' HB3' ' A' ' 115' ' ' ASN . 26.9 t -92.52 -23.08 19.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.416 ' HB3' ' O ' ' A' ' 114' ' ' SER . 33.2 t30 73.62 -54.73 0.68 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.205 0.602 . . . . 0.0 111.161 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -79.16 162.95 25.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.637 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -81.97 130.77 35.17 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -176.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -95.65 119.83 34.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.834 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 97.8 m -101.8 106.71 17.74 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 107' ' ' TYR . 3.2 t-160 -98.36 116.64 31.02 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.4 p -104.47 133.15 49.35 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.38 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.475 ' CE1' HG23 ' A' ' 64' ' ' ILE . 48.4 m-85 -123.8 140.27 53.15 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.569 177.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' THR . . . . . 0.483 ' OG1' ' HB1' ' A' ' 24' ' ' ALA . 7.4 p -98.78 114.95 27.72 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.149 178.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.26 155.85 24.65 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.78 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -91.62 7.12 43.01 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -164.11 145.49 8.69 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.528 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 92.8 t -65.74 -45.42 91.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.721 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -59.05 -40.56 85.51 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-O 121.03 0.443 . . . . 0.0 109.836 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.453 HD23 ' HB3' ' A' ' 21' ' ' TYR . 5.4 tt -58.22 -53.31 59.75 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.689 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.86 91.8 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.184 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.37 -42.58 91.95 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.385 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -60.15 -48.25 82.49 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.5 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.7 mt -57.19 -45.65 84.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.462 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 41.1 mm -60.23 -41.23 86.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 CA-C-O 120.983 0.42 . . . . 0.0 110.482 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.4 tt -63.33 -51.12 67.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.179 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 24.8 m -58.08 -50.74 72.43 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.323 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 81.9 mt -57.62 -48.79 78.46 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.742 0.306 . . . . 0.0 111.434 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.6 -48.21 87.35 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.051 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -69.46 -35.57 75.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.692 0.282 . . . . 0.0 111.223 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.404 ' O ' HG12 ' A' ' 143' ' ' VAL . . . -66.86 -40.55 87.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.862 0.363 . . . . 0.0 110.74 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -71.43 -32.2 68.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.227 0.537 . . . . 0.0 109.913 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.24 -44.28 79.83 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.149 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 140' ' ' ALA . 7.3 p -67.76 -23.29 29.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.252 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.206 177.683 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.494 ' HB3' ' HB2' ' A' ' 69' ' ' SER . 68.7 p . . . . . 0 N--CA 1.446 -0.661 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.627 ' SG ' HG12 ' A' ' 68' ' ' VAL . 32.0 p -99.31 118.15 35.33 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.984 178.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -108.87 117.35 33.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.208 -177.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.471 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 65.4 m-85 -138.74 179.61 6.38 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -115.98 114.97 25.34 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.01 0.433 . . . . 0.0 110.403 178.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.87 170.9 7.63 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.46 ' HB3' ' OG1' ' A' ' 123' ' ' THR . . . -108.25 124.08 49.76 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.688 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.443 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 1.8 t80 -67.34 99.44 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.3 tp -84.89 -55.53 4.03 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.515 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.15 160.04 30.54 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 118.94 -1.6 . . . . 0.0 113.833 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.3 p -132.09 111.16 11.24 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -113.14 144.57 42.43 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.91 0.386 . . . . 0.0 111.006 -176.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.469 HD21 ' CD2' ' A' ' 118' ' ' TYR . 3.3 tm? -105.57 121.48 44.06 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.2 mm -96.67 131.42 43.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.718 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -49.91 75.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.536 -179.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -160.63 123.17 3.24 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.502 ' C ' HD12 ' A' ' 34' ' ' LEU . 2.2 tm? -176.56 139.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.49 ' N ' HD12 ' A' ' 34' ' ' LEU . 5.3 ptp180 -118.53 120.54 37.82 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.571 177.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.78 -159.01 14.04 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 119.889 -1.148 . . . . 0.0 114.925 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.445 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 15.2 t -79.04 -13.3 59.86 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.484 0.714 . . . . 0.0 112.84 -174.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -53.24 -33.9 54.89 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.975 0.417 . . . . 0.0 110.636 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -56.37 -48.25 77.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.858 176.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 p -68.53 -40.45 80.75 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 37' ' ' THR . 18.9 mm-40 -57.74 -49.1 77.68 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.497 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.31 -50.14 64.64 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.1 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -58.42 -52.09 67.09 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.014 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.3 t -56.62 -52.81 63.43 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.345 -178.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.98 -59.46 4.72 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -65.96 -53.41 39.37 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -176.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.509 ' HB3' ' O ' ' A' ' 43' ' ' ALA . 2.2 tmm? -65.06 -34.68 79.01 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -64.36 -47.88 77.65 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.75 -13.78 62.6 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.322 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -84.86 -46.73 11.05 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.966 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.119 -177.825 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.426 ' HB ' ' O ' ' A' ' 25' ' ' TYR . 27.5 m . . . . . 0 C--O 1.24 0.581 0 CA-C-O 120.451 0.167 . . . . 0.0 110.733 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.23 144.12 67.35 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.939 2.426 . . . . 0.0 112.512 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.3 m -87.05 135.01 33.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.597 HG23 ' CE1' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -131.63 133.63 61.37 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 120.904 0.383 . . . . 0.0 110.348 -178.283 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.3 mt -77.75 111.7 14.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.478 0.656 . . . . 0.0 110.389 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.39 101.04 13.26 Favored 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.201 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 19' ' ' CYS . 46.4 t -119.47 122.56 41.98 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 121.138 0.494 . . . . 0.0 110.365 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.627 HG12 ' SG ' ' A' ' 19' ' ' CYS . 0.3 OUTLIER -125.2 130.01 73.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.248 -177.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.494 ' HB2' ' HB3' ' A' ' 18' ' ' SER . 22.2 t -121.24 158.29 28.42 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.193 177.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.81 -15.45 62.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.027 0.442 . . . . 0.0 111.051 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.5 22.86 13.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.574 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 147.42 150.06 5.11 Favored Glycine 0 CA--C 1.506 -0.479 0 C-N-CA 119.52 -1.324 . . . . 0.0 113.181 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.4 HG21 HG22 ' A' ' 68' ' ' VAL . 35.2 t -117.78 138.72 47.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.52 133.16 46.04 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.603 0.716 . . . . 0.0 111.697 -178.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.45 ' HB3' HD11 ' A' ' 64' ' ' ILE . 17.7 m-85 -119.57 103.58 9.54 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.928 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.414 ' O ' HG12 ' A' ' 64' ' ' ILE . 4.2 mp -112.91 143.7 22.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -67.61 132.7 48.04 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.28 -24.55 39.97 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.4 m -98.63 -44.24 6.52 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 120.914 0.388 . . . . 0.0 111.1 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -91.33 -13.96 31.63 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.63 -176.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt 63.31 19.13 11.5 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.257 0.551 . . . . 0.0 110.968 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -81.38 135.45 35.66 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.373 -177.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.569 ' H ' HD12 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -75.14 92.08 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 121.899 0.857 . . . . 0.0 109.721 175.652 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.7 mt -69.77 -52.08 34.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.037 -176.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -165.82 139.25 4.34 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.523 178.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -151.24 124.37 8.75 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -147.24 176.04 10.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.959 0.409 . . . . 0.0 111.303 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -69.62 150.15 47.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.687 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.9 tp -60.15 -36.15 66.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-O 120.683 0.278 . . . . 0.0 111.387 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -73.43 1.17 10.31 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -84.68 -20.79 30.67 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.9 mt -79.59 108.08 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.053 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.3 t -69.87 -39.59 76.22 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.838 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.536 ' HB2' ' CG1' ' A' ' 108' ' ' ILE . 17.1 m -150.61 149.72 30.25 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 120.79 0.328 . . . . 0.0 111.723 -178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.82 109.85 5.58 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.07 142.45 42.39 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.015 0.436 . . . . 0.0 112.049 -175.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.407 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 5.2 pm0 -92.83 143.82 25.89 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 174.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -86.72 150.04 49.8 Favored Pre-proline 0 C--N 1.304 -1.405 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -173.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.54 -36.41 34.06 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.392 2.728 . . . . 0.0 113.674 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -70.97 -20.35 62.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -157.75 114.86 2.96 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.868 0.366 . . . . 0.0 110.637 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.8 -9.86 58.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.5 p -97.03 2.6 51.61 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.42 0.629 . . . . 0.0 110.085 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 89.0 m -110.66 122.44 47.79 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.514 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 41.0 p90 -132.84 143.74 49.74 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.979 0.418 . . . . 0.0 111.213 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -130.73 139.8 50.29 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.463 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 120' ' ' HIS . 43.2 p90 -122.48 150.56 42.35 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.745 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.536 ' CG1' ' HB2' ' A' ' 94' ' ' CYS . 1.4 mm -107.8 116.61 51.63 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.9 p -115.6 160.23 20.27 Favored 'General case' 0 C--N 1.311 -1.075 0 O-C-N 123.336 0.397 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.14 76.93 1.65 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.927 0.87 . . . . 0.0 110.587 177.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.7 172.13 9.24 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.498 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.21 -12.04 60.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.34 0.591 . . . . 0.0 110.008 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.0 2.55 32.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.672 176.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.8 m -132.44 77.03 1.73 Allowed 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.549 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -71.01 -18.52 62.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.343 0.592 . . . . 0.0 109.779 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -94.07 171.78 8.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.273 175.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -82.3 106.11 13.92 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.101 0.477 . . . . 0.0 111.214 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.469 ' CD2' HD21 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -92.25 122.42 34.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.555 179.704 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 19.7 p -109.3 114.53 28.29 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.311 0.576 . . . . 0.0 110.349 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 107' ' ' TYR . 3.6 t-160 -107.33 119.24 38.86 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.336 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.472 HG11 ' CE ' ' A' ' 47' ' ' MET . 7.8 p -109.47 131.5 60.18 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 CA-C-O 121.259 0.552 . . . . 0.0 111.461 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.597 ' CE1' HG23 ' A' ' 64' ' ' ILE . 56.9 m-85 -124.19 148.32 47.35 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.594 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' THR . . . . . 0.46 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 22.9 p -110.95 130.98 55.42 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.405 177.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.9 162.19 14.52 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.799 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -92.7 3.3 55.86 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.222 0.534 . . . . 0.0 109.968 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -160.75 138.04 9.19 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.633 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 86.4 t -63.65 -46.12 95.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.682 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.99 -38.02 87.03 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.062 0.458 . . . . 0.0 110.317 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.7 -52.08 66.62 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.488 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.44 97.46 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.889 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.87 94.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.827 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.35 -38.57 91.5 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.257 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 67.1 mt -61.31 -47.29 94.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 25.9 mm -58.17 -45.23 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.405 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 75.4 mt -58.95 -51.42 70.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.97 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.9 m -57.48 -43.89 84.45 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.692 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.94 -46.61 88.56 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.903 0.382 . . . . 0.0 110.342 177.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.67 -49.63 76.42 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.186 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.77 -38.74 86.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.731 0.301 . . . . 0.0 110.879 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.83 92.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.352 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -74.35 -32.1 62.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.073 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.68 -47.11 76.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.53 -12.05 15.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.093 0.473 . . . . 0.0 110.629 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.005 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 N--CA 1.444 -0.756 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.8 m -74.85 111.99 10.62 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -91.09 113.43 25.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.575 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -119.1 123.2 43.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.468 0.175 . . . . 0.0 110.827 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -83.36 108.06 16.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.879 0.371 . . . . 0.0 110.363 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.77 167.14 10.59 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.498 ' HB1' ' CG2' ' A' ' 61' ' ' VAL . . . -105.16 118.41 36.48 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.519 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.473 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -70.36 107.52 3.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.069 -178.124 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.6 tp -86.33 -52.87 5.35 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.361 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.82 150.61 8.96 Favored Glycine 0 C--N 1.336 0.569 0 C-N-CA 119.444 -1.36 . . . . 0.0 113.514 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.3 p -106.12 104.47 14.18 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.545 ' HE1' ' SD ' ' A' ' 47' ' ' MET . 1.6 tpp -109.58 133.47 53.07 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 120.971 0.415 . . . . 0.0 111.216 -175.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.6 tp -84.92 117.27 23.82 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.053 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.6 mm -87.75 127.73 40.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.636 -175.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -81.08 -58.04 3.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.546 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -96.6 99.72 11.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.609 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -80.72 107.17 13.3 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.596 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -127.7 29.22 5.51 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.29 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.14 -143.69 18.93 Favored Glycine 0 C--N 1.324 -0.125 0 CA-C-N 115.862 -0.608 . . . . 0.0 113.507 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 t -67.33 -12.62 60.62 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.331 0.586 . . . . 0.0 111.344 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -66.5 -41.01 89.54 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.204 0.526 . . . . 0.0 109.716 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.0 m -64.38 -39.71 94.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.108 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.416 HG23 ' SG ' ' A' ' 119' ' ' CYS . 61.2 p -66.4 -43.9 84.52 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.519 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -62.19 -40.29 95.55 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.059 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -58.88 -53.2 61.06 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.368 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.09 -51.46 67.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.242 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.426 ' SG ' HG21 ' A' ' 104' ' ' THR . 45.6 t -54.11 -57.4 11.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.099 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.28 -29.5 69.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -60.81 -65.2 0.73 Allowed 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.167 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.545 ' SD ' ' HE1' ' A' ' 29' ' ' MET . 4.8 mpp? -66.08 -32.64 74.23 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.676 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -61.39 -47.53 85.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.735 0.302 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.78 -11.87 54.86 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -94.52 -41.19 9.48 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.889 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 48.6 t . . . . . 0 N--CA 1.464 0.266 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.833 -177.032 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.512 ' HB ' ' HD2' ' A' ' 62' ' ' PRO . 29.7 m . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.512 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 85.5 Cg_exo -48.77 107.4 0.14 Allowed 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.442 2.095 . . . . 0.0 113.48 -177.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.2 m -76.35 127.05 32.11 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.405 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -124.96 138.51 54.0 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.328 -177.006 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.9 mt -89.73 99.82 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-O 120.994 0.426 . . . . 0.0 110.211 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.12 95.64 4.96 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.8 t -97.65 109.56 22.29 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-O 121.509 0.671 . . . . 0.0 110.182 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 p -112.42 134.29 55.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.314 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.1 t -140.1 -179.81 6.19 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.35 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.62 105.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.951 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt 68.75 4.48 4.43 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.363 -0.835 . . . . 0.0 113.238 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -137.94 136.48 8.18 Favored Glycine 0 CA--C 1.508 -0.375 0 C-N-CA 119.526 -1.321 . . . . 0.0 113.222 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.1 t -131.07 124.83 56.59 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 CA-C-O 121.4 0.619 . . . . 0.0 110.839 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -119.88 126.01 49.88 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.664 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.405 ' HB3' HD11 ' A' ' 64' ' ' ILE . 4.5 m-85 -106.35 100.05 9.6 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.184 -175.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.1 mt -107.82 144.91 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.556 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -76.1 133.53 40.26 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.507 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.03 -10.02 43.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -177.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.7 m -91.4 -45.62 8.46 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -135.04 31.44 3.26 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.696 -176.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt 44.04 44.59 6.26 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.525 0.73 . . . . 0.0 112.384 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -93.14 134.57 35.17 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.538 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.6 tp -79.33 92.46 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.677 0.751 . . . . 0.0 109.331 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.42 -57.17 8.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.289 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.61 159.82 43.21 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.436 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -154.39 113.52 3.69 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -152.71 144.38 23.5 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.475 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.45 151.56 32.31 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.9 tt -63.46 -16.0 17.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.025 0.44 . . . . 0.0 111.269 -177.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -69.51 -14.97 63.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.158 0.504 . . . . 0.0 110.396 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -80.45 -18.05 49.91 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.2 mt -88.96 126.56 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.02 177.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.3 t -98.02 -28.79 13.62 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.46 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 53.6 t -152.81 151.67 30.71 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.054 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.25 106.13 5.17 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.08 142.72 50.95 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.986 0.422 . . . . 0.0 112.025 -176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.408 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 21.3 pt20 -103.5 156.95 17.38 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.632 176.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.09 139.99 79.9 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-O 121.15 0.5 . . . . 0.0 111.916 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -68.03 -39.23 11.18 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.705 2.27 . . . . 0.0 112.737 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -83.23 -17.17 43.66 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.593 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -147.65 111.21 4.97 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.907 0.384 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.8 mp -85.66 9.56 15.87 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.5 t -100.37 8.23 43.78 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.426 HG21 ' SG ' ' A' ' 44' ' ' CYS . 15.2 m -132.01 134.98 46.19 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.51 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 43.4 p90 -141.88 152.04 43.23 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.938 0.399 . . . . 0.0 110.846 -177.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.35 124.68 16.55 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.393 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -105.46 144.39 32.29 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.116 0.484 . . . . 0.0 110.334 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.496 ' CG2' ' HB3' ' A' ' 117' ' ' HIS . 57.8 mt -109.68 125.36 66.85 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.198 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.0 p -106.14 149.4 26.81 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.875 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -98.99 69.12 1.75 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.622 0.725 . . . . 0.0 109.641 177.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -82.5 102.66 11.5 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.272 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -61.36 -23.13 65.55 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.773 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.54 -23.25 67.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.971 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.3 m -115.99 -1.36 12.53 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.605 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 67.98 -61.85 0.37 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.039 0.936 . . . . 0.0 112.138 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -74.55 170.62 15.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.025 0.441 . . . . 0.0 110.502 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.496 ' HB3' ' CG2' ' A' ' 108' ' ' ILE . 77.1 m80 -90.58 125.21 35.55 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.982 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -88.2 119.26 28.44 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.02 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.416 ' SG ' HG23 ' A' ' 40' ' ' THR . 44.9 t -92.53 110.64 22.06 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 177.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.413 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 76.9 m80 -97.6 104.32 16.34 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.2 p -97.33 128.92 48.13 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 0 CA-C-O 121.142 0.496 . . . . 0.0 111.13 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.473 ' CD2' ' HA ' ' A' ' 25' ' ' TYR . 85.8 m-85 -128.66 142.09 51.14 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.093 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' THR . . . . . 0.475 ' OG1' ' HB2' ' A' ' 24' ' ' ALA . 27.8 p -98.39 125.28 43.49 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.435 177.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.9 152.4 22.11 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.066 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -74.45 -22.55 59.06 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.452 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -146.65 153.43 40.3 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.851 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.61 -45.76 96.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.9 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -62.41 -35.11 78.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.537 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.33 -47.6 83.53 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.12 -45.16 94.71 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.51 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.34 -43.56 88.35 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.892 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -59.3 -46.39 88.69 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.982 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 48.4 mt -57.64 -53.12 48.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 41.7 mm -60.84 -38.39 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.88 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.7 -48.7 73.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.05 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 14.4 m -63.76 -39.48 94.38 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.543 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.29 -45.55 94.01 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.054 0.454 . . . . 0.0 109.876 175.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.51 ' HA2' ' CZ ' ' A' ' 141' ' ' PHE . . . -54.74 -47.59 70.48 Favored Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.603 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.7 -41.44 98.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.884 0.374 . . . . 0.0 110.783 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.91 -43.66 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.432 -177.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.51 ' CZ ' ' HA2' ' A' ' 138' ' ' GLY . 3.0 p90 -88.63 -19.01 26.79 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 119.173 -1.011 . . . . 0.0 111.795 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -67.42 -44.13 79.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 7.4 p -70.16 -15.78 19.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.544 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 121.238 0.542 . . . . 0.0 110.134 178.038 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.2 p . . . . . 0 N--CA 1.441 -0.895 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.408 ' HB2' HG13 ' A' ' 68' ' ' VAL . 72.0 m -113.26 111.99 22.97 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.004 -177.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.32 107.14 15.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.422 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -131.25 172.43 12.16 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 121.137 -0.225 . . . . 0.0 110.976 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 56.4 mttp -118.59 145.23 45.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.104 0.478 . . . . 0.0 110.809 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.09 167.2 23.29 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.227 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.466 ' HB2' HG21 ' A' ' 61' ' ' VAL . . . -95.98 115.97 28.23 Favored 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.5 119.48 14.73 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -177.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.424 ' HB3' HG13 ' A' ' 121' ' ' VAL . 25.5 tp -86.18 -50.73 6.77 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.592 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.21 156.96 13.75 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 118.901 -1.619 . . . . 0.0 114.593 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.5 m -100.98 107.21 18.62 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.686 ' HE2' ' SD ' ' A' ' 47' ' ' MET . 1.8 tpp -112.57 136.2 52.39 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.599 -175.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.9 tp -85.04 130.57 34.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.007 0.432 . . . . 0.0 110.378 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.4 mm -102.09 138.14 27.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.193 -177.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -87.77 -54.47 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.231 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -110.94 124.35 51.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.217 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -83.65 100.98 11.19 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -136.26 83.7 2.03 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.78 -176.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.58 -135.42 37.72 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-N 115.541 -0.754 . . . . 0.0 113.401 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.3 t -89.96 -0.3 57.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.906 0.384 . . . . 0.0 110.925 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.04 -42.4 99.14 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 m -62.81 -46.94 85.63 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.787 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.5 p -64.76 -34.93 79.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.758 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -73.08 -40.91 64.64 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.854 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -55.93 -50.22 71.32 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 176.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.68 -57.38 13.18 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.927 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.8 t -51.76 -56.73 12.12 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.496 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.08 -42.73 81.2 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 120.891 0.377 . . . . 0.0 111.082 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -56.98 -50.02 73.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.891 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.686 ' SD ' ' HE2' ' A' ' 29' ' ' MET . 4.4 mpp? -74.4 -42.87 58.51 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -23.33 67.35 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.879 -177.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.96 -42.47 5.32 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -95.95 -33.64 12.1 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -175.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -174.936 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER . . . . . 0 CA--C 1.555 1.143 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -66.23 103.93 0.69 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 121.569 1.513 . . . . 0.0 112.204 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.4 m -69.55 116.78 10.36 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.559 HD12 ' HB3' ' A' ' 75' ' ' PHE . 1.3 tt -108.93 147.09 13.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.82 -173.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.425 ' N ' HG12 ' A' ' 64' ' ' ILE . 3.3 mp -94.09 105.99 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.416 ' CD2' HD13 ' A' ' 64' ' ' ILE . 34.3 mt -89.45 103.05 15.72 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.779 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.498 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 35.0 t -105.15 115.35 30.13 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 121.487 0.661 . . . . 0.0 110.324 178.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.408 HG13 ' HB2' ' A' ' 19' ' ' CYS . 5.3 p -120.82 138.5 51.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.135 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.6 m -140.87 -178.53 5.59 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.935 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.59 100.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.298 0.374 . . . . 0.0 111.228 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 72.25 1.86 4.11 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.907 0.883 . . . . 0.0 112.299 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.32 142.68 17.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.369 -0.92 . . . . 0.0 113.247 -176.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.518 ' HB ' ' O ' ' A' ' 87' ' ' HIS . 52.0 t -132.53 115.78 26.24 Favored 'Isoleucine or valine' 0 C--O 1.248 1.016 0 CA-C-O 121.231 0.539 . . . . 0.0 111.033 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.498 ' O ' ' HB3' ' A' ' 67' ' ' SER . 74.8 mmtt -128.33 98.29 5.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.803 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.559 ' HB3' HD12 ' A' ' 64' ' ' ILE . 20.7 m-30 -108.99 113.63 26.68 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.356 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.4 mp -120.82 149.26 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-O 120.877 0.37 . . . . 0.0 111.512 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.527 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 8.9 t70 -78.79 155.59 29.19 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 123.554 0.742 . . . . 0.0 111.045 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.25 -33.57 13.21 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 37.8 m -74.08 -54.34 8.03 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -175.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -107.59 -9.85 15.8 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.617 0.246 . . . . 0.0 110.812 -177.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 8.7 mtmp? 71.04 26.51 3.51 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.689 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -73.6 136.17 43.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.588 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.9 mp -80.7 118.46 28.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.89 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.21 -48.29 19.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.824 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.497 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -139.73 113.28 8.49 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 120.452 -0.499 . . . . 0.0 112.26 -177.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.72 99.63 7.07 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.174 175.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.518 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 2.6 p-80 -166.78 165.53 16.25 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.305 -177.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.9 165.88 20.4 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 45.9 mt -64.38 -25.59 38.32 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-O 121.136 0.494 . . . . 0.0 109.883 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -13.05 58.74 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.325 177.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -86.68 -18.6 30.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.258 0.551 . . . . 0.0 109.764 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.6 mt -84.25 114.4 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.326 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.2 m -86.73 -26.58 24.14 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.868 -175.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 18.2 t -161.82 161.04 28.88 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.653 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.01 136.43 25.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -151.47 -176.73 5.71 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.974 0.416 . . . . 0.0 111.428 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 11.2 pt20 -146.76 172.85 12.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.781 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 12.7 t70 -86.04 137.16 35.44 Favored Pre-proline 0 C--N 1.323 -0.582 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.797 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 32.1 Cg_exo -63.81 -38.83 36.95 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.128 2.552 . . . . 0.0 113.92 179.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -88.51 -35.72 16.82 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.715 -176.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -110.64 103.59 12.18 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.164 0.507 . . . . 0.0 109.969 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 66.4 mt -80.65 5.48 15.46 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.564 -176.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.2 t -106.72 -0.25 23.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.157 0.504 . . . . 0.0 110.237 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 36.2 m -113.56 125.49 54.24 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.284 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 37.2 p90 -130.12 155.6 45.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.674 -178.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -148.58 134.71 19.27 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.536 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -120.27 148.73 43.34 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.013 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.434 ' CG2' ' HB3' ' A' ' 117' ' ' HIS . 50.0 mt -112.41 127.49 69.59 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.665 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.6 p -111.31 -171.78 1.9 Allowed 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.667 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -132.86 124.92 28.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.032 176.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -111.79 121.04 44.0 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.004 0.431 . . . . 0.0 110.482 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -47.74 81.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.327 -174.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.83 2.25 27.18 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.114 -0.634 . . . . 0.0 112.38 -177.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.5 t -100.49 -34.53 9.89 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 66.24 14.96 9.92 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.369 -177.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.14 -169.52 2.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.625 178.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.434 ' HB3' ' CG2' ' A' ' 108' ' ' ILE . 93.3 m-70 -117.84 134.67 54.7 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 120.769 0.318 . . . . 0.0 111.225 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -98.04 127.05 43.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.456 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.1 t -100.5 112.98 25.41 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 177.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -97.14 106.54 18.89 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.5 p -104.52 130.57 55.18 Favored 'Isoleucine or valine' 0 C--O 1.248 0.979 0 CA-C-O 121.129 0.49 . . . . 0.0 111.247 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -129.08 144.01 51.05 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.54 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 33.3 p -103.63 110.23 22.22 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.9 164.85 25.78 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.482 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -96.96 2.14 51.21 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.958 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -155.37 134.84 12.5 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.492 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 87.1 t -64.08 -55.18 23.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.002 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.13 -37.94 81.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.073 -178.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.84 -46.08 86.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.272 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.84 -49.99 75.55 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.099 0.476 . . . . 0.0 110.669 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.01 -34.5 74.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.773 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -73.2 -29.76 63.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.389 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 64.4 mt -64.92 -46.09 92.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 174.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 44.7 mm -60.4 -39.56 81.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.231 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 14.5 tp -59.47 -47.32 85.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.91 177.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 43.5 m -58.27 -54.08 51.0 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.367 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 65.5 mt -56.1 -51.28 68.48 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 121.101 0.477 . . . . 0.0 110.956 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -55.81 -54.42 35.2 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.425 -0.807 . . . . 0.0 113.291 -177.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -65.81 -36.9 84.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.919 0.36 . . . . 0.0 111.454 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.01 -30.97 72.01 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.725 0.297 . . . . 0.0 111.132 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -88.52 -38.12 15.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.947 0.403 . . . . 0.0 110.804 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.27 -40.86 96.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.387 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 11.4 p -56.52 -20.54 11.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.756 0.312 . . . . 0.0 111.33 -179.787 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.446 -0.649 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.4 m -133.79 132.96 41.1 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 120.799 0.333 . . . . 0.0 110.805 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' OD1' HG22 ' A' ' 65' ' ' ILE . 1.1 t70 -102.72 115.17 30.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.369 -178.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -127.06 121.97 33.04 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.472 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -84.33 106.86 16.26 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.165 0.507 . . . . 0.0 110.802 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.77 179.36 3.99 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.727 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.426 ' HB1' ' CE1' ' A' ' 125' ' ' PHE . . . -113.53 130.42 56.35 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.922 177.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.401 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -77.39 106.37 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.848 0.356 . . . . 0.0 110.424 -177.272 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.411 ' HB3' HG13 ' A' ' 121' ' ' VAL . 52.1 tp -79.21 -57.82 3.53 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.73 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.53 164.73 29.23 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 119.53 -1.319 . . . . 0.0 113.323 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.6 p -113.51 122.03 46.05 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -115.71 140.01 49.61 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 121.072 0.463 . . . . 0.0 111.023 -177.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -81.61 127.42 32.86 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.486 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.437 ' HB ' ' HB2' ' A' ' 117' ' ' HIS . 24.3 mm -106.22 119.5 55.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.276 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -56.99 -57.39 12.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.366 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -138.88 153.64 48.31 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.152 0.501 . . . . 0.0 111.714 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.38 115.56 29.52 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.01 -177.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -116.37 34.13 5.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.26 -146.77 20.44 Favored Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 -176.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.45 ' HB ' HE22 ' A' ' 41' ' ' GLN . 3.1 p -74.4 -0.62 17.89 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.239 0.542 . . . . 0.0 111.467 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -57.86 -45.66 85.99 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -66.21 -42.51 88.66 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.699 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.5 p -61.75 -54.24 45.19 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.085 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.45 HE22 ' HB ' ' A' ' 37' ' ' THR . 0.7 OUTLIER -66.32 -29.57 69.81 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.428 -179.684 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.22 -62.58 1.73 Allowed 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.338 0.59 . . . . 0.0 109.878 176.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.425 ' HB2' ' HE2' ' A' ' 47' ' ' MET . . . -61.17 -51.47 68.91 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.042 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.1 t -54.85 -52.81 61.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.681 -177.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.48 -38.86 91.48 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 121.144 -0.223 . . . . 0.0 111.404 -177.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -62.99 -50.39 70.93 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.425 ' HE2' ' HB2' ' A' ' 43' ' ' ALA . 4.1 mpp? -71.86 -33.66 68.6 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.332 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.47 -44.95 92.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.46 -27.57 65.35 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.13 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -69.28 -44.86 70.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.644 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 C--O 1.233 0.227 0 CA-C-O 121.005 0.431 . . . . 0.0 110.721 178.167 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 120.724 0.297 . . . . 0.0 111.456 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.56 155.07 64.04 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.064 2.509 . . . . 0.0 113.58 -177.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.2 m -77.77 147.32 35.37 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.479 -178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.473 HD12 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -144.82 139.16 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.103 -179.247 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.429 HG22 ' OD1' ' A' ' 20' ' ' ASP . 3.4 mp -83.15 110.35 18.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.065 0.459 . . . . 0.0 111.221 -178.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -84.72 92.91 8.32 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 174.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.8 t -98.03 99.51 10.79 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 121.671 0.748 . . . . 0.0 110.37 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 p -99.84 121.37 50.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 114.843 -1.072 . . . . 0.0 111.56 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.566 ' HB3' ' O ' ' A' ' 72' ' ' GLY . 32.4 t -128.22 150.52 49.99 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.556 177.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.67 -12.63 60.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.979 0.418 . . . . 0.0 110.784 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.77 11.18 22.59 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.566 ' O ' ' HB3' ' A' ' 69' ' ' SER . . . 148.09 139.77 3.25 Favored Glycine 0 C--O 1.223 -0.578 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.687 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.3 t -111.56 124.24 68.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-O 121.031 0.444 . . . . 0.0 109.912 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -121.86 147.27 46.2 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.438 -177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.473 ' HB3' HD12 ' A' ' 64' ' ' ILE . 3.4 m-85 -124.94 121.65 35.07 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.74 -177.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.447 ' O ' HG12 ' A' ' 64' ' ' ILE . 2.4 mp -128.29 143.21 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.392 -178.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.3 145.18 42.02 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.089 0.471 . . . . 0.0 111.058 178.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.77 -24.06 19.53 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -177.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.1 p -75.97 -52.92 9.22 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -174.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -116.32 3.24 13.34 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.428 -0.17 . . . . 0.0 111.085 -176.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt 67.12 32.82 5.95 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.976 0.893 . . . . 0.0 109.143 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -76.95 125.61 29.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.049 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.502 HD13 ' H ' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -75.81 123.6 32.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-O 121.003 0.43 . . . . 0.0 110.438 179.012 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.437 ' HB ' ' O ' ' A' ' 75' ' ' PHE . 1.8 mp -82.52 -58.99 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 84' ' ' ILE . . . 175.13 166.61 0.3 Allowed 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.041 0.448 . . . . 0.0 111.62 178.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.86 129.57 36.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.35 175.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -136.42 148.1 47.6 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -71.36 148.22 47.23 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.238 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.5 tp -60.45 -34.48 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.282 0.563 . . . . 0.0 110.598 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -64.44 -13.98 54.44 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.019 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.569 ' ND2' ' HB ' ' A' ' 109' ' ' THR . 9.6 t30 -91.84 -16.47 26.7 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.484 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.1 mt -78.49 105.02 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.9 t -75.31 -29.62 60.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.257 -174.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.0 t -154.66 140.2 17.87 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.032 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.53 106.23 8.38 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.36 -174.06 3.29 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.823 0.344 . . . . 0.0 110.923 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.438 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 5.0 pm0 -146.63 177.93 8.69 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.159 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -70.26 139.61 87.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -57.47 -35.31 98.86 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.912 2.408 . . . . 0.0 113.518 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -114.49 -28.11 7.3 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -96.51 99.92 11.54 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.156 0.503 . . . . 0.0 110.491 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.5 mt -81.04 15.12 1.96 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.462 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.8 t -115.15 4.92 14.7 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.2 m -125.94 126.06 43.76 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.883 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 122' ' ' PHE . 43.1 p90 -125.91 152.72 45.22 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.151 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -143.73 122.23 12.45 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.476 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 49.1 p90 -114.16 146.24 40.6 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.328 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 52.3 mt -115.13 127.93 72.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.794 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.569 ' HB ' ' ND2' ' A' ' 91' ' ' ASN . 80.9 p -108.13 144.04 36.08 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.086 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -114.54 70.64 0.74 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.618 0.723 . . . . 0.0 109.459 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.433 ' HA ' ' OD1' ' A' ' 91' ' ' ASN . 6.9 m-20 -72.64 127.45 32.6 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.326 -179.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.46 -20.95 64.65 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.274 0.559 . . . . 0.0 109.654 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -75.34 -23.72 57.25 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.088 176.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.3 t -97.04 -41.31 8.43 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.972 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 40.5 t30 72.94 -46.26 0.64 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.608 0.763 . . . . 0.0 110.355 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -82.54 145.17 29.9 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.681 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.437 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 52.4 m80 -71.42 129.01 37.74 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 -178.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.1 119.98 38.26 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.864 0.364 . . . . 0.0 111.262 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 49.4 t -107.35 119.4 39.29 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 44.2 m-70 -106.99 116.71 32.4 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.411 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.1 p -106.31 132.76 52.66 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 CA-C-O 121.255 0.55 . . . . 0.0 110.831 -178.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 65.9 m-85 -129.92 141.83 50.73 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.889 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 81.7 p -103.07 118.13 36.11 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.56 161.37 26.0 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.426 ' CE1' ' HB1' ' A' ' 24' ' ' ALA . 30.5 m-85 -90.71 -2.69 57.81 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 120.762 0.315 . . . . 0.0 110.69 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -155.57 148.0 23.87 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.487 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 66.0 t -61.26 -41.59 90.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.026 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -65.73 -41.4 92.28 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.19 -49.21 76.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.988 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.08 -49.02 73.91 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.319 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.93 86.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -63.27 -42.5 99.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.74 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.7 -48.28 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.165 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 27.1 mm -56.02 -45.35 80.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.36 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.484 ' O ' ' HG2' ' A' ' 139' ' ' GLN . 10.1 tt -63.1 -49.48 74.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.464 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 16.8 m -61.49 -42.81 99.36 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.016 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 88.7 mt -59.6 -45.76 90.94 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.715 0.293 . . . . 0.0 110.348 177.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.21 -46.74 93.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.016 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 14.0 mm100 -60.28 -45.5 93.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.312 . . . . 0.0 110.679 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.92 -37.64 86.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.465 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -70.01 -47.02 63.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.176 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -74.1 -29.04 61.65 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -177.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.9 p -69.22 -26.95 32.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 120.186 -0.606 . . . . 0.0 110.023 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.427 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.946 177.552 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.7 p . . . . . 0 N--CA 1.44 -0.94 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.563 ' HB3' ' CG1' ' A' ' 68' ' ' VAL . 41.9 t -89.75 96.48 10.71 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.621 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.75 99.77 8.65 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.216 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.408 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 87.6 m-85 -140.77 178.35 7.4 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.54 106.46 17.16 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 120.99 0.424 . . . . 0.0 110.975 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.52 177.34 5.97 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.467 ' HB3' HG23 ' A' ' 61' ' ' VAL . . . -116.5 124.41 49.83 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.075 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.563 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 13.8 t80 -78.79 105.45 10.1 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.804 -177.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.1 tp -88.1 -52.79 5.05 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.632 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.62 163.04 22.99 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 119.215 -1.469 . . . . 0.0 114.199 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -114.69 109.03 17.59 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.59 ' HE3' ' SD ' ' A' ' 47' ' ' MET . 1.4 mpp? -116.92 132.69 56.64 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.803 0.335 . . . . 0.0 111.838 -176.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 116' ' ' HIS . 21.7 tp -80.72 129.74 34.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.529 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.7 mm -109.37 142.42 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.531 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.47 -54.44 28.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.532 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -135.56 138.72 43.29 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.05 0.452 . . . . 0.0 110.3 178.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.2 mm? -104.54 101.04 10.71 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.628 -178.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -111.76 88.07 2.71 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.17 -142.26 45.84 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.596 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.6 t -91.09 2.89 55.99 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.192 0.52 . . . . 0.0 110.632 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -65.62 -45.38 83.32 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 m -66.59 -39.38 88.38 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.208 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.3 p -66.46 -43.42 85.56 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.016 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -67.93 -34.39 76.52 Favored 'General case' 0 CA--C 1.523 -0.094 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -57.47 -55.26 37.11 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.785 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.03 94.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.684 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.0 t -54.23 -55.19 30.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.525 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.49 78.91 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.858 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -54.22 -60.03 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.753 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.59 ' SD ' ' HE3' ' A' ' 29' ' ' MET . 5.0 mpp? -76.14 -29.16 57.68 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -68.43 -25.86 65.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.976 0.417 . . . . 0.0 110.578 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.35 -31.66 14.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.005 0.431 . . . . 0.0 110.496 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -85.91 -4.73 59.24 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.258 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -178.466 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.562 ' HB ' ' HD2' ' A' ' 62' ' ' PRO . 1.5 m . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.562 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 36.6 Cg_endo -69.63 146.71 61.85 Favored 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 121.648 1.566 . . . . 0.0 112.051 177.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.7 m -88.71 133.82 34.1 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.212 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -123.71 123.22 66.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.12 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.6 mt -70.61 107.2 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.34 104.39 16.95 Favored 'General case' 0 N--CA 1.424 -1.745 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.267 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -108.18 89.69 3.07 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.32 0.581 . . . . 0.0 109.814 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.563 ' CG1' ' HB3' ' A' ' 19' ' ' CYS . 5.5 p -104.3 118.62 51.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-O 121.496 0.665 . . . . 0.0 111.54 -178.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.8 t -123.67 163.63 20.7 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.364 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.08 116.68 4.36 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.741 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HA ' ' HB ' ' A' ' 89' ' ' ILE . 98.5 mttt 72.97 10.74 5.31 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.832 178.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.78 117.33 0.77 Allowed Glycine 0 CA--C 1.511 -0.176 0 C-N-CA 119.832 -1.175 . . . . 0.0 112.66 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.5 t -119.95 130.71 73.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.242 0.544 . . . . 0.0 111.458 -178.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -122.16 132.21 54.34 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.884 -178.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.413 ' HB3' HD13 ' A' ' 64' ' ' ILE . 6.9 m-85 -121.23 112.16 18.29 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.487 ' O ' HG12 ' A' ' 64' ' ' ILE . 2.0 mp -117.12 143.84 26.4 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.311 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.555 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 6.5 t70 -80.35 134.19 36.01 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.09 -15.71 25.77 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.147 0.499 . . . . 0.0 110.532 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -70.16 -52.84 20.33 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.951 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -119.72 -3.92 10.27 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.926 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 28.2 mtpp 72.83 35.72 0.99 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.299 0.64 . . . . 0.0 110.869 -177.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -81.25 127.39 32.65 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.597 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 83' ' ' ILE . 3.0 mp -74.96 99.69 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 175.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 77.4 mt -73.25 -59.26 3.55 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.671 -175.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -163.14 157.21 20.3 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.106 -0.637 . . . . 0.0 112.089 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -149.73 124.1 9.61 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -146.6 158.62 43.93 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.04 0.447 . . . . 0.0 111.751 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.63 167.06 22.5 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.241 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.414 HG12 ' HA ' ' A' ' 141' ' ' PHE . 9.7 tp -59.59 -31.17 46.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -176.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -15.58 62.31 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -78.25 -20.34 51.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.311 0.577 . . . . 0.0 109.791 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.7 mt -98.63 125.91 51.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 28.5 p -99.17 -30.76 12.1 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.548 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 35.8 t -153.97 158.07 40.1 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.123 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.87 116.1 7.96 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.29 133.87 35.48 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.393 -0.523 . . . . 0.0 112.052 -177.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -85.37 151.97 23.61 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -65.65 122.42 80.44 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.625 0.25 . . . . 0.0 110.543 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.05 -45.26 42.31 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 123.275 2.65 . . . . 0.0 114.256 -177.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -84.13 -38.67 20.42 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -175.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -121.63 104.04 9.33 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.026 0.441 . . . . 0.0 110.084 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 71.5 mt -77.62 7.02 6.15 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -175.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.9 m -96.45 10.85 36.98 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.444 0.64 . . . . 0.0 110.462 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.7 t -145.63 148.82 33.51 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.071 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.43 ' HB2' HD12 ' A' ' 134' ' ' ILE . 52.2 p90 -148.25 159.98 43.42 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.042 0.449 . . . . 0.0 111.675 -176.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.24 127.83 20.16 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.521 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -112.53 143.9 42.91 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.098 0.475 . . . . 0.0 110.278 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.6 mt -96.65 126.47 49.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.142 -178.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.14 145.9 48.99 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.03 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -94.87 94.81 8.26 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -72.8 97.53 2.24 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.498 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -62.98 -13.26 32.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.569 -0.742 . . . . 0.0 112.241 -177.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -82.39 -25.94 33.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.783 0.325 . . . . 0.0 110.685 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.5 p -115.28 -8.08 12.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.15 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.1 t30 62.79 27.44 16.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.454 0.702 . . . . 0.0 110.729 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.434 ' HB3' HD13 ' A' ' 30' ' ' LEU . 64.2 m80 -135.76 165.69 25.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -95.7 117.46 30.54 Favored 'General case' 0 C--O 1.254 1.291 0 CA-C-O 121.906 0.86 . . . . 0.0 112.178 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 30' ' ' LEU . 16.2 m-85 -102.67 132.87 48.5 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 114.68 -1.145 . . . . 0.0 110.959 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 49.9 t -92.61 105.83 17.92 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -93.57 108.16 19.91 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.42 132.55 47.02 Favored 'Isoleucine or valine' 0 C--O 1.25 1.087 0 CA-C-O 121.393 0.616 . . . . 0.0 111.893 -176.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.563 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 10.7 m-85 -129.98 146.53 51.67 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.642 178.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' THR . . . . . 0.458 HG23 ' HB1' ' A' ' 24' ' ' ALA . 3.0 t -112.76 164.5 13.3 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 175.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -122.34 164.12 18.51 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.265 0.555 . . . . 0.0 112.138 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -85.06 -16.51 40.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.278 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -143.65 139.32 29.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.759 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 8.0 p -62.51 -39.8 85.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -177.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -71.06 -35.03 71.75 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.92 -41.64 96.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.441 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.21 -52.27 65.51 Favored 'General case' 0 C--O 1.249 1.073 0 CA-C-O 121.127 0.489 . . . . 0.0 110.177 177.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.09 -31.78 73.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.251 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.26 -45.45 84.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.227 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.29 -47.8 91.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.406 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.43 HD12 ' HB2' ' A' ' 105' ' ' PHE . 21.7 mm -60.0 -42.64 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 120.859 0.362 . . . . 0.0 110.753 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.25 -44.07 97.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.303 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 25.0 m -64.67 -40.55 95.59 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.559 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 77.2 mt -60.29 -47.03 87.76 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.287 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.51 -46.32 94.13 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.004 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -60.47 -43.31 97.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.003 0.43 . . . . 0.0 110.473 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.61 -29.64 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.078 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.414 ' HA ' HG12 ' A' ' 89' ' ' ILE . 78.3 t80 -77.61 -45.33 25.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.168 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -70.11 -37.52 75.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.768 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.4 p -67.57 -4.74 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 121.035 0.445 . . . . 0.0 111.402 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.672 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.367 179.316 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.569 ' OG ' ' HB2' ' A' ' 69' ' ' SER . 1.3 m . . . . . 0 CA--C 1.515 -0.396 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.0 t -109.59 142.1 41.16 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -102.45 109.91 21.7 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.43 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.433 ' CD2' HG12 ' A' ' 133' ' ' ILE . 69.5 m-85 -118.67 138.39 52.65 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 122.339 -0.225 . . . . 0.0 111.253 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -101.38 114.42 28.39 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.45 172.82 8.42 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.847 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.449 ' HB1' HG22 ' A' ' 123' ' ' THR . . . -97.81 122.13 40.55 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.469 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 1.0 OUTLIER -74.05 93.51 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.619 -177.681 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.1 tp -73.33 -55.61 6.17 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.04 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.46 160.0 21.07 Favored Glycine 0 N--CA 1.44 -1.091 0 C-N-CA 119.535 -1.316 . . . . 0.0 113.549 176.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.2 m -120.18 98.32 6.01 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.57 ' HE2' ' SD ' ' A' ' 47' ' ' MET . 0.9 OUTLIER -97.34 139.54 33.13 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.492 -173.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD13 ' CE2' ' A' ' 118' ' ' TYR . 20.1 tp -88.45 119.94 29.35 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.452 -177.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.413 HD13 ' SG ' ' A' ' 119' ' ' CYS . 22.0 mm -102.09 143.8 14.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.926 -177.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -83.96 -64.82 1.09 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.553 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -112.23 133.64 54.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.77 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -92.29 132.44 36.7 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.398 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -146.5 84.77 1.63 Allowed 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.382 0.61 . . . . 0.0 110.826 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 55.44 -142.08 37.29 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.056 -0.975 . . . . 0.0 112.894 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -90.12 4.56 50.03 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.785 0.326 . . . . 0.0 110.685 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -69.99 -36.26 75.03 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 m -63.8 -45.99 87.2 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.184 0.516 . . . . 0.0 110.391 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.7 p -67.31 -38.43 84.93 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.786 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -69.57 -37.88 77.17 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.283 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -56.63 -50.15 72.88 Favored 'General case' 0 C--O 1.25 1.113 0 CA-C-O 121.434 0.635 . . . . 0.0 109.291 176.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.03 65.67 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.799 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.3 t -55.83 -45.82 78.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.954 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.87 -47.52 84.64 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.996 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -66.43 -48.17 70.87 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.133 -0.627 . . . . 0.0 112.354 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.57 ' SD ' ' HE2' ' A' ' 29' ' ' MET . 4.3 mpp? -69.09 -33.05 72.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.863 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -62.99 -45.61 91.61 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.27 86.7 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.851 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -69.32 -41.5 76.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.318 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.806 -179.643 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.431 HG22 ' HB3' ' A' ' 24' ' ' ALA . 33.3 m . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 120.674 0.273 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.45 153.79 76.69 Favored 'Trans proline' 0 C--O 1.243 0.732 0 C-N-CA 122.633 2.222 . . . . 0.0 112.667 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.6 m -81.15 132.56 35.36 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.506 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.524 HD11 ' HB3' ' A' ' 75' ' ' PHE . 1.3 tt -116.83 142.83 28.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.17 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 54.2 mt -95.52 100.92 11.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 CA-C-O 121.574 0.702 . . . . 0.0 109.519 176.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.4 mt -81.08 101.31 9.52 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.675 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.5 m -93.41 105.55 17.6 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.2 p -110.88 126.7 68.26 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.569 ' HB2' ' OG ' ' A' ' 18' ' ' SER . 42.1 t -129.6 153.21 48.29 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.792 178.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.32 -12.27 60.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.953 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -104.84 -7.23 19.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.326 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.06 172.28 32.32 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 119.73 -1.224 . . . . 0.0 112.635 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.6 m -128.0 146.04 34.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-O 121.205 0.526 . . . . 0.0 111.434 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -132.22 109.59 10.04 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.195 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.524 ' HB3' HD11 ' A' ' 64' ' ' ILE . 10.5 m-85 -98.22 105.33 17.46 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -178.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.0 mt -116.37 142.59 29.27 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.017 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.115 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.646 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 1.2 t70 -78.12 148.89 33.97 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.69 -19.33 20.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.815 0.34 . . . . 0.0 111.743 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 m -71.08 -56.57 5.85 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.173 0.511 . . . . 0.0 111.689 -176.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -113.97 -6.2 13.16 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.967 -177.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.646 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 14.1 mptt 70.7 33.59 2.26 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.815 -176.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -70.04 127.53 33.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.725 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.41 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.5 mp -77.43 95.34 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.7 mt -70.14 -56.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 114.92 -1.037 . . . . 0.0 111.062 -176.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -165.72 142.98 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.586 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -136.59 136.72 39.47 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -144.05 164.27 31.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.432 -177.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -75.24 163.67 27.26 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.55 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.5 tp -62.46 -29.8 47.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.402 0.62 . . . . 0.0 109.562 177.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -64.82 -12.97 54.04 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.521 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -23.45 29.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.71 0.29 . . . . 0.0 110.894 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 mt -79.03 126.8 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -106.41 -33.88 7.59 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.726 -176.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 38.8 t -158.14 163.02 37.99 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.755 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.17 116.32 10.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.962 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.07 176.67 7.18 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.777 0.322 . . . . 0.0 110.674 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.483 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 13.9 pt20 -142.43 174.63 10.45 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.202 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -87.44 133.2 38.85 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.01 -41.35 7.66 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.889 2.393 . . . . 0.0 113.627 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.31 -40.38 14.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.785 0.326 . . . . 0.0 111.546 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -103.91 93.97 5.16 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.29 0.567 . . . . 0.0 109.546 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.4 mt -71.1 -2.6 16.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.88 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t -100.69 9.28 42.64 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-O 121.028 0.442 . . . . 0.0 109.991 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 63.6 m -129.91 139.24 51.17 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.931 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.483 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 42.8 p90 -140.4 163.88 31.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.905 0.384 . . . . 0.0 111.93 -177.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 120' ' ' HIS . . . -151.47 117.72 5.61 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.684 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -112.59 145.33 40.54 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.051 0.453 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 69.3 mt -93.2 123.88 45.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.363 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.4 p -123.82 147.48 47.55 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 114.843 -1.072 . . . . 0.0 109.454 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.74 126.0 35.3 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 121.281 0.563 . . . . 0.0 112.352 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -111.78 118.27 35.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.573 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.84 -27.32 68.69 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.972 -176.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -77.12 -17.02 58.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.396 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 115' ' ' ASN . 50.7 m -101.7 -7.3 22.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.419 ' HB3' ' O ' ' A' ' 114' ' ' SER . 28.3 t30 72.63 -58.73 0.59 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.902 0.481 . . . . 0.0 112.167 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -83.41 174.43 10.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.083 0.468 . . . . 0.0 111.578 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -105.08 140.37 38.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.401 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.411 ' CE2' HD13 ' A' ' 30' ' ' LEU . 96.0 m-85 -102.58 129.34 49.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.909 -178.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.413 ' SG ' HD13 ' A' ' 31' ' ' ILE . 27.0 p -98.24 112.75 24.63 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 106' ' ' ALA . 19.8 m80 -89.97 104.12 16.72 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.187 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.8 p -104.26 121.0 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 CA-C-O 121.787 0.804 . . . . 0.0 110.478 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 94.0 m-85 -129.57 140.92 51.08 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.66 -179.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' THR . . . . . 0.449 HG22 ' HB1' ' A' ' 24' ' ' ALA . 3.5 t -111.8 128.59 56.15 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.318 0.58 . . . . 0.0 109.819 178.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.21 161.21 15.16 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.365 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -87.14 -13.02 45.28 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.373 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -139.56 142.61 37.16 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.291 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.69 -40.6 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.398 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -62.87 -39.78 95.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.426 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -61.97 -46.24 90.12 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.07 90.58 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.352 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.55 -41.15 98.45 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.015 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -59.14 -45.04 91.99 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.949 0.404 . . . . 0.0 110.944 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.433 HG12 ' CD2' ' A' ' 21' ' ' TYR . 52.8 mt -62.47 -48.12 89.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.644 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 43.4 mm -62.45 -40.42 88.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.612 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.16 -48.59 81.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.997 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 24.8 m -64.51 -44.04 92.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.001 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.02 -46.37 91.0 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.863 0.363 . . . . 0.0 110.779 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.72 -41.16 99.87 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.947 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -67.34 -41.82 84.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.792 0.33 . . . . 0.0 110.562 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.19 -47.83 84.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.758 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -66.55 -37.43 84.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.055 0.455 . . . . 0.0 110.484 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.25 -49.5 71.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.922 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.68 -18.69 21.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.953 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 120.925 0.393 . . . . 0.0 110.715 179.191 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.421 ' HB3' ' HB2' ' A' ' 69' ' ' SER . 57.8 p . . . . . 0 N--CA 1.442 -0.835 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.9 t -118.48 131.23 56.26 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -106.97 129.85 54.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -136.71 157.48 46.66 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.378 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -107.92 106.48 16.76 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.76 168.24 9.56 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.66 121.05 43.57 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.005 179.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -68.52 101.73 1.32 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -177.857 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.2 tp -84.73 -55.24 4.21 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.002 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.71 165.24 37.61 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 119.272 -1.442 . . . . 0.0 114.012 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.2 p -132.39 110.61 10.67 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 176.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -103.82 139.76 38.58 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.562 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.423 HD22 ' CZ ' ' A' ' 118' ' ' TYR . 2.5 tm? -84.87 125.62 32.78 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.382 177.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.413 HG23 ' HB3' ' A' ' 34' ' ' LEU . 14.7 mm -104.84 121.18 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.561 179.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -64.35 -54.62 30.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.008 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -140.25 134.47 31.11 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.234 -0.894 . . . . 0.0 108.879 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.413 ' HB3' HG23 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -133.45 148.86 51.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -174.575 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.3 mtp85 -141.72 108.32 5.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.026 176.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.22 -129.11 25.86 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.186 -0.53 . . . . 0.0 113.712 177.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 t -105.87 8.58 32.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.929 0.395 . . . . 0.0 111.595 -176.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.3 -47.7 81.19 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.68 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 m -69.3 -37.06 77.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.131 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.3 p -64.08 -49.22 73.12 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 110.36 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.66 -33.45 74.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.641 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -59.02 -50.76 72.88 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.004 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.04 -51.67 67.05 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.853 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.6 m -51.93 -51.23 58.43 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.394 0.433 . . . . 0.0 111.712 -178.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.09 -55.62 20.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.975 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -62.6 -42.47 99.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.975 0.417 . . . . 0.0 111.424 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.5 ttp -64.67 -45.3 87.3 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.687 -178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -67.18 -32.92 74.33 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 119.775 -0.77 . . . . 0.0 110.34 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.74 -34.21 77.34 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-O 121.17 0.51 . . . . 0.0 110.234 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -76.75 -41.47 44.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.212 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.5 t . . . . . 0 C--O 1.239 0.5 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.61 -178.324 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.482 ' HB ' ' HD2' ' A' ' 62' ' ' PRO . 20.4 m . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.482 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 30.5 Cg_exo -38.39 118.72 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 C-N-CA 123.79 2.993 . . . . 0.0 113.98 -179.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.5 m -77.01 132.07 38.77 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.528 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.442 HD12 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -128.34 136.2 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.118 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.465 -178.874 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 65.8 mt -84.49 114.31 24.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.491 0.662 . . . . 0.0 111.224 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 122' ' ' PHE . 1.5 mm? -84.76 103.93 14.28 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.54 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -105.28 99.79 9.39 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.3 p -103.75 129.71 55.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.062 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.421 ' HB2' ' HB3' ' A' ' 18' ' ' SER . 32.3 t -146.68 153.81 40.71 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.33 -8.78 56.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.261 0.553 . . . . 0.0 109.958 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -98.81 4.78 47.67 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.128 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.44 161.05 9.18 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.637 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.0 m -119.34 138.96 48.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-O 121.164 0.507 . . . . 0.0 110.705 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -138.47 136.28 36.02 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.477 0.656 . . . . 0.0 110.956 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.442 ' HB3' HD12 ' A' ' 64' ' ' ILE . 11.7 m-85 -117.41 104.75 11.42 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.347 -176.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.3 mp -110.46 147.6 14.53 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.179 -176.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.548 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 12.4 t70 -64.38 149.86 47.47 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.15 -26.59 17.35 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -100.94 -34.84 9.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.051 0.453 . . . . 0.0 111.333 -177.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -100.63 -21.13 15.36 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.151 0.501 . . . . 0.0 110.157 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.548 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 24.6 ttpp 63.75 29.91 14.76 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.319 -179.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -79.49 134.07 36.51 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.364 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.3 tp -72.02 95.08 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.92 0.867 . . . . 0.0 109.815 176.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.6 mt -72.75 -55.32 13.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.892 -175.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.85 142.07 19.44 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.696 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -142.78 142.96 31.99 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.086 0.47 . . . . 0.0 110.389 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -150.82 163.54 38.38 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.71 155.13 40.82 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 6.1 tp -60.22 -36.01 65.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-O 121.141 0.496 . . . . 0.0 110.867 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -70.21 -8.76 52.52 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.089 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -78.23 -21.66 49.61 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.968 0.414 . . . . 0.0 110.121 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.7 mt -76.44 116.79 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.2 p -89.68 -28.53 19.39 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.292 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.411 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 46.9 t -151.97 150.16 29.69 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.944 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.59 122.33 19.85 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -153.34 -169.2 3.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.923 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -154.71 178.96 9.53 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.755 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 12.5 t70 -70.8 142.53 88.35 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.653 -179.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 15.7 Cg_exo -68.63 -28.52 31.15 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.817 2.344 . . . . 0.0 113.984 -179.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -105.35 -34.96 7.68 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.136 -177.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -111.96 100.78 9.16 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.259 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.0 mp -81.25 10.9 4.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.366 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -95.09 -11.93 27.41 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.3 m -105.14 117.94 35.27 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.619 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -112.18 144.47 41.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.812 0.339 . . . . 0.0 110.952 -177.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.417 ' HB3' ' SG ' ' A' ' 119' ' ' CYS . . . -135.15 120.58 19.16 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 -177.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -114.82 143.01 45.78 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 120.895 0.378 . . . . 0.0 110.235 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 117' ' ' HIS . 70.7 mt -108.74 121.0 61.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.554 -179.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 12.1 p -108.85 159.92 16.4 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.164 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -104.33 113.8 27.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.029 0.442 . . . . 0.0 111.182 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -101.42 96.2 6.99 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.954 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 29.1 tp -66.22 -12.02 53.58 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.666 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -65.31 -33.33 75.72 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.4 p -113.19 -9.75 13.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.249 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 64.1 t30 64.54 31.31 12.44 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.745 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -131.5 177.29 7.61 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.268 177.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 108' ' ' ILE . 29.8 m-70 -112.58 134.14 54.26 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.818 0.342 . . . . 0.0 110.304 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.423 ' CZ ' HD22 ' A' ' 30' ' ' LEU . 55.2 m-85 -111.81 134.01 53.65 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.707 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 106' ' ' ALA . 52.4 t -101.17 102.88 13.89 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.195 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -93.07 109.6 21.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.4 p -116.41 129.94 72.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 CA-C-O 121.306 0.574 . . . . 0.0 111.599 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.469 ' CD2' HD22 ' A' ' 66' ' ' LEU . 8.3 m-85 -126.11 154.54 42.96 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.996 -178.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 39.9 p -101.66 117.42 34.86 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.376 178.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.15 154.63 29.17 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -83.8 -8.33 59.25 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.038 0.447 . . . . 0.0 110.173 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -142.06 135.93 29.66 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.73 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 96.7 t -62.82 -47.64 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.555 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -60.32 -38.24 83.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.041 0.448 . . . . 0.0 110.076 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 8.3 tt -58.56 -49.95 75.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.755 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.45 99.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.619 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.43 -39.68 91.67 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.845 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.33 -42.97 99.01 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.979 178.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 71.2 mt -58.33 -49.01 83.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.265 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.42 -43.31 90.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.526 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.64 -47.37 86.53 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 11.6 m -60.84 -45.44 94.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.613 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.42 -44.92 96.3 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.403 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -63.17 -46.26 93.57 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.201 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -63.47 -44.9 93.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.02 92.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.357 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -67.86 -36.09 79.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.152 0.501 . . . . 0.0 110.152 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -71.83 -46.65 57.37 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.242 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.7 p -63.59 -8.38 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-O 120.907 0.384 . . . . 0.0 111.825 -176.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.523 178.872 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 N--CA 1.442 -0.847 0 CA-C-O 121.007 0.432 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 21' ' ' TYR . 66.5 m -98.58 94.48 6.7 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.92 103.09 15.84 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.025 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 19' ' ' CYS . 51.7 m-85 -118.44 176.02 5.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.753 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -122.84 127.44 49.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.085 0.469 . . . . 0.0 111.507 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.34 -177.72 3.88 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 122' ' ' PHE . . . -121.65 112.0 17.89 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.015 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.496 ' O ' ' HB ' ' A' ' 61' ' ' VAL . 3.5 t80 -57.76 116.21 3.3 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.455 1.102 . . . . 0.0 111.71 -175.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.0 tp -99.45 -59.07 1.79 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.73 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.66 144.21 8.22 Favored Glycine 0 C--N 1.341 0.834 0 C-N-CA 119.799 -1.191 . . . . 0.0 113.424 177.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.9 p -110.08 113.41 26.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.602 ' HE3' ' SD ' ' A' ' 47' ' ' MET . 1.5 tpp -108.37 145.28 34.74 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.247 -175.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.469 HD11 ' CE2' ' A' ' 118' ' ' TYR . 60.7 tp -105.65 117.09 33.13 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.236 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.455 ' CG2' HD22 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -120.52 176.67 3.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -113.31 -73.41 0.66 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -115.55 125.97 53.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -178.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.455 HD22 ' CG2' ' A' ' 31' ' ' ILE . 29.8 mt -128.87 169.51 14.51 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.733 -173.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -148.74 85.93 1.51 Allowed 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.68 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.71 -157.1 26.15 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.084 -0.579 . . . . 0.0 113.987 175.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.1 t -77.49 -0.62 26.81 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.006 0.431 . . . . 0.0 111.517 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -55.75 -41.11 73.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.984 0.421 . . . . 0.0 110.735 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.446 ' HB2' HD21 ' A' ' 34' ' ' LEU . 28.1 t -69.89 -40.95 75.34 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.703 -178.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.9 p -63.72 -38.73 92.22 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 120.614 -0.434 . . . . 0.0 109.889 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -70.99 -36.03 72.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.13 178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -55.56 -58.76 6.43 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-O 121.353 0.597 . . . . 0.0 109.838 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.12 -49.49 77.06 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.553 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.5 t -51.07 -56.25 13.52 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.435 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.51 -41.07 76.06 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.689 -178.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -61.17 -52.95 62.67 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.13 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.602 ' SD ' ' HE3' ' A' ' 29' ' ' MET . 5.0 mpp? -68.4 -25.06 64.86 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.463 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -58.45 -51.42 69.94 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 175.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.32 -32.16 72.95 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.17 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -72.26 -44.66 62.49 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.606 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -175.744 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.496 ' HB ' ' O ' ' A' ' 25' ' ' TYR . 1.6 m . . . . . 0 N--CA 1.438 -1.066 0 CA-C-O 120.366 0.127 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -61.91 142.66 93.87 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 123.359 2.706 . . . . 0.0 113.355 -176.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.1 m -76.16 127.23 32.5 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.439 HD13 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -118.94 130.1 74.22 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.438 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.8 mt -85.15 117.56 30.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.566 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.9 mt -97.21 105.26 17.37 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.315 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.3 t -99.56 99.34 10.2 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.445 HG13 ' HB2' ' A' ' 19' ' ' CYS . 3.1 p -108.55 119.57 58.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.936 -177.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.7 p -127.67 159.62 34.14 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.267 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.92 -0.19 4.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -125.45 8.19 7.73 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 122.374 -0.204 . . . . 0.0 111.543 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 159.17 159.88 10.01 Favored Glycine 0 CA--C 1.51 -0.224 0 C-N-CA 120.062 -1.066 . . . . 0.0 112.759 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 23.8 t -130.46 132.66 64.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-O 121.189 0.519 . . . . 0.0 110.539 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -121.22 141.45 50.85 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.21 -177.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.439 ' HB3' HD13 ' A' ' 64' ' ' ILE . 3.8 m-85 -126.9 111.81 14.58 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.199 -177.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.5 mp -122.46 146.41 27.72 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.923 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -81.23 137.9 35.82 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 176.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.0 1.28 42.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.72 0.295 . . . . 0.0 111.392 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 m -79.83 -53.92 6.33 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.038 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -130.89 7.59 4.74 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.26 0.552 . . . . 0.0 109.966 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? 67.1 85.05 0.15 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.353 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -128.79 127.13 41.36 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.069 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 83' ' ' ILE . 3.7 mp -78.74 92.18 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 177.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.1 mt -67.83 -50.72 57.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 114.92 -1.037 . . . . 0.0 111.213 -176.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -159.93 154.01 23.3 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.108 0.48 . . . . 0.0 111.895 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -145.76 113.06 6.2 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 177.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -135.52 162.97 31.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.15 0.5 . . . . 0.0 112.294 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -72.07 158.54 35.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.989 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.3 tt -60.32 -46.08 95.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-O 120.792 0.33 . . . . 0.0 111.449 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -74.15 3.96 6.32 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -78.37 -17.99 55.71 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.444 ' HA ' HG22 ' A' ' 109' ' ' THR . 21.2 mt -88.18 131.67 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.283 178.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 m -84.8 -41.14 16.39 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.597 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 45.3 t -166.13 164.15 17.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.425 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.27 130.73 29.11 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -139.15 169.23 18.15 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.923 0.392 . . . . 0.0 110.565 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -127.03 157.15 40.36 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.164 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.45 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 10.2 t70 -70.66 124.3 90.66 Favored Pre-proline 0 C--N 1.311 -1.084 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.346 -178.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 18.6 Cg_exo -67.67 -36.86 17.86 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.088 2.525 . . . . 0.0 113.752 -178.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -89.0 -24.68 22.32 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -126.59 95.74 4.45 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.521 ' H ' HD22 ' A' ' 102' ' ' LEU . 1.6 pt? -71.11 8.95 0.82 Allowed 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.43 -0.804 . . . . 0.0 113.118 -176.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.6 t -111.68 12.35 21.13 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.438 0.637 . . . . 0.0 109.302 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.7 m -128.37 142.32 51.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.325 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -151.74 165.07 35.56 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.563 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -146.51 151.23 37.03 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.219 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -130.24 137.19 49.91 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.789 177.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.0 mt -100.25 122.45 52.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.9 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.444 HG22 ' HA ' ' A' ' 92' ' ' ILE . 43.4 p -121.45 -168.75 1.74 Allowed 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.503 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.64 131.71 11.81 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 120.852 0.358 . . . . 0.0 110.161 174.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -93.89 123.85 37.52 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.81 -21.66 66.03 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.132 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -80.82 -13.18 59.18 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.973 0.416 . . . . 0.0 110.96 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.3 m -115.1 -21.85 9.8 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.398 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 62.9 t30 62.62 21.59 12.79 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.803 0.841 . . . . 0.0 111.0 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -130.42 169.01 16.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.376 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -95.69 130.37 42.61 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -173.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.469 ' CE2' HD11 ' A' ' 30' ' ' LEU . 5.2 m-85 -100.74 117.4 34.76 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.708 178.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 51.0 t -96.99 103.11 15.0 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -103.26 111.22 23.52 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.253 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.4 p -113.83 139.88 37.18 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.556 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.472 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -152.33 168.02 26.79 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-O 121.226 0.536 . . . . 0.0 111.805 178.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 50.5 p -98.9 149.67 22.69 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.026 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -105.84 159.95 15.62 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 120.629 0.252 . . . . 0.0 110.358 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -73.78 -31.85 63.49 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.183 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -142.47 151.3 41.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.765 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.2 t -60.1 -45.72 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.107 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -63.3 -40.57 97.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.816 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.04 -46.24 90.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.802 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.02 77.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.057 0.456 . . . . 0.0 110.943 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.53 99.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.096 -178.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.06 -36.37 77.58 Favored 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.935 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 31.6 mt -61.08 -45.51 98.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 174.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 37.3 mm -58.78 -42.46 85.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.878 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.4 tt -58.74 -46.71 86.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.265 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.9 m -64.25 -44.45 91.75 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 81.2 mt -58.42 -50.01 75.22 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.73 0.3 . . . . 0.0 110.899 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.85 -44.62 97.83 Favored Glycine 0 C--O 1.241 0.592 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.089 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -59.02 -44.28 91.7 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.42 -46.86 85.63 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.175 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.25 -43.88 98.16 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 111.18 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.21 -41.39 90.22 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.75 -11.82 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 120.965 0.412 . . . . 0.0 111.151 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.348 0 CA-C-O 120.959 0.409 . . . . 0.0 110.708 179.018 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.1 p . . . . . 0 N--CA 1.444 -0.733 0 CA-C-O 120.927 0.394 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.48 ' HB2' HG11 ' A' ' 68' ' ' VAL . 74.9 m -96.09 104.85 16.82 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.286 -179.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -97.04 118.83 34.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.571 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.514 ' CD1' ' HG ' ' A' ' 129' ' ' LEU . 72.4 m-85 -134.16 179.85 6.01 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.983 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -133.81 114.52 13.46 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.0 177.91 4.47 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.39 -178.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.62 ' O ' ' HB2' ' A' ' 122' ' ' PHE . . . -107.36 111.16 23.36 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.528 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.516 ' O ' ' HB ' ' A' ' 61' ' ' VAL . 4.8 t80 -66.65 104.14 1.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.311 -177.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.4 tp -85.99 -56.51 3.44 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.456 ' HA3' ' SD ' ' A' ' 47' ' ' MET . . . -179.53 157.24 20.12 Favored Glycine 0 C--N 1.337 0.611 0 C-N-CA 120.018 -1.087 . . . . 0.0 113.371 177.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.8 m -118.44 116.1 26.01 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.435 ' HE3' ' SD ' ' A' ' 47' ' ' MET . 1.5 mpp? -105.8 138.36 42.13 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.977 0.418 . . . . 0.0 111.752 -176.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.436 ' HG ' ' CE1' ' A' ' 118' ' ' TYR . 4.8 tt -84.43 118.52 24.32 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 mm -114.63 137.12 49.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.201 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -111.06 -35.2 5.98 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.21 0.529 . . . . 0.0 109.794 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -102.67 102.29 12.48 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.093 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -86.45 103.08 14.66 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.726 -177.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -108.17 75.86 1.01 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.174 0.511 . . . . 0.0 110.529 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 55.55 -130.55 48.29 Favored Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.332 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.2 p -99.7 9.51 42.98 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.754 0.788 . . . . 0.0 110.073 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.76 -38.67 70.33 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.77 178.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.4 m -60.64 -41.08 94.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.222 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.508 HG21 ' SG ' ' A' ' 119' ' ' CYS . 38.4 p -68.6 -45.64 71.46 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.895 0.378 . . . . 0.0 110.243 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -34.53 77.22 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -57.81 -60.26 3.98 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.363 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.62 -40.76 88.62 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.951 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.6 t -59.96 -56.19 24.75 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.731 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.95 -41.56 74.87 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.746 0.308 . . . . 0.0 111.332 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -58.63 -52.95 63.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.702 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.456 ' SD ' ' HA3' ' A' ' 27' ' ' GLY . 66.1 mtm -70.61 -29.85 66.35 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.865 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.413 ' NH2' HG23 ' A' ' 104' ' ' THR . 55.9 mtt180 -58.62 -48.34 81.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.338 0.589 . . . . 0.0 109.526 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.19 -26.98 62.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.836 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -73.79 -36.77 65.05 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.923 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.1 p . . . . . 0 N--CA 1.471 0.616 0 CA-C-O 120.978 0.418 . . . . 0.0 111.208 -178.108 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' A' ' 25' ' ' TYR . 26.9 m . . . . . 0 N--CA 1.445 -0.707 0 CA-C-O 120.576 0.227 . . . . 0.0 110.775 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.76 146.11 33.31 Favored 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.41 2.073 . . . . 0.0 112.626 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.5 m -81.34 125.9 30.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.258 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.447 HD12 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -115.66 137.62 48.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.226 -178.253 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.443 ' N ' HD13 ' A' ' 65' ' ' ILE . 2.1 mp -79.73 112.03 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.315 0.578 . . . . 0.0 110.574 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.08 97.74 11.12 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.35 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.8 m -108.34 101.13 10.35 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.543 0.687 . . . . 0.0 110.57 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.48 HG11 ' HB2' ' A' ' 19' ' ' CYS . 2.2 p -110.12 115.27 49.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.682 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.0 t -121.3 153.03 38.24 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.278 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.61 -13.46 62.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -103.77 -1.43 27.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.694 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 156.14 158.72 8.98 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.402 -0.904 . . . . 0.0 112.388 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.0 m -118.64 143.13 30.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-O 120.867 0.365 . . . . 0.0 110.688 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -146.19 134.13 21.38 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.53 0.681 . . . . 0.0 110.613 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.447 ' HB3' HD12 ' A' ' 64' ' ' ILE . 9.0 m-85 -122.91 111.12 16.27 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -177.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.4 mp -123.7 153.01 29.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 123.539 0.524 . . . . 0.0 111.665 -174.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.671 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -95.63 153.95 17.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.902 175.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.67 -11.42 20.0 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.8 m -74.2 -53.33 10.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.953 0.406 . . . . 0.0 110.924 -177.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -124.93 5.99 8.01 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.541 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.671 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 58.2 mttp 63.91 29.53 14.49 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.525 -178.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -72.73 123.75 23.95 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.706 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.507 ' H ' HD13 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -80.58 114.2 21.14 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-O 121.215 0.531 . . . . 0.0 110.68 179.018 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.4 mp -64.06 -43.2 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -171.35 148.51 2.61 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.738 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -151.26 117.73 5.7 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.041 0.448 . . . . 0.0 110.567 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -153.15 -174.17 4.84 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.271 -178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -71.95 159.04 34.92 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -45.33 93.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -177.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -75.04 6.68 3.92 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.028 0.442 . . . . 0.0 111.783 -177.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -75.53 -16.54 60.26 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 174.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.18 120.64 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.2 t -77.04 -36.72 55.85 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.742 -176.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 47.3 t -159.39 151.67 21.11 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.086 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.48 120.97 31.04 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.519 ' O ' ' HB2' ' A' ' 105' ' ' PHE . . . -128.63 169.51 14.35 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 120.957 0.408 . . . . 0.0 111.409 -177.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.444 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 16.9 pt20 -147.53 162.22 39.52 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.677 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -74.33 129.12 84.81 Favored Pre-proline 0 C--N 1.321 -0.648 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.77 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -57.94 -30.99 91.6 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.671 2.248 . . . . 0.0 112.719 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -75.64 -28.22 58.68 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -156.83 142.84 17.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.852 0.358 . . . . 0.0 111.612 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.29 -5.54 56.18 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.6 t -89.44 17.14 6.54 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.419 0.628 . . . . 0.0 110.503 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.413 HG23 ' NH2' ' A' ' 48' ' ' ARG . 1.5 t -149.52 121.16 8.03 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.182 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 34.0 p90 -149.85 175.22 11.82 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 120.401 -0.52 . . . . 0.0 112.325 -175.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -152.83 140.82 20.24 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.945 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -121.14 142.13 50.16 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-O 120.973 0.416 . . . . 0.0 110.039 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 56.3 mt -100.22 120.91 50.31 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.47 140.83 35.22 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.363 -175.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 tptm -87.93 75.1 8.86 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -82.67 78.3 9.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.578 0.704 . . . . 0.0 109.341 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.7 tp -62.07 -30.47 71.01 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.424 -174.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -17.69 61.87 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.63 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.9 m -97.43 -5.86 35.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.949 0.404 . . . . 0.0 110.069 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 64.78 13.38 8.41 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.669 177.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -140.64 170.25 16.13 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.724 0.297 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -102.35 126.09 49.26 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.983 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.436 ' CE1' ' HG ' ' A' ' 30' ' ' LEU . 23.9 m-85 -104.59 126.23 51.48 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.049 0.452 . . . . 0.0 111.32 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.508 ' SG ' HG21 ' A' ' 40' ' ' THR . 33.2 t -101.63 100.55 10.96 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.507 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -89.75 104.13 16.71 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.2 p -109.1 130.03 62.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.244 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.62 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 22.9 p90 -153.61 168.2 26.98 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 121.204 0.526 . . . . 0.0 111.351 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' THR . . . . . 0.418 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 50.6 p -107.45 170.61 7.87 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.324 -177.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.489 ' CB ' ' HB2' ' A' ' 130' ' ' ALA . . . -129.5 150.39 50.86 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -77.54 -26.1 50.73 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -122.7 131.0 53.6 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.57 -52.34 62.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.487 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -62.4 -37.18 84.77 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.448 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.514 ' HG ' ' CD1' ' A' ' 21' ' ' TYR . 8.2 tt -56.7 -51.46 68.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.735 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.489 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . . . -64.01 -45.73 87.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.988 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.39 79.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.144 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -70.98 -34.04 71.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.892 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.3 -44.97 97.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 30.3 mm -58.77 -43.11 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.287 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.46 -46.43 90.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.545 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 62.3 m -58.14 -52.39 65.77 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.746 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.23 -51.75 67.66 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.404 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.56 -46.84 92.66 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.951 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -64.9 -42.58 94.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.763 0.316 . . . . 0.0 110.826 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.2 86.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -76.34 -40.43 51.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.96 -40.99 95.83 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.868 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.7 p -65.82 -31.62 54.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.226 0.536 . . . . 0.0 110.641 179.335 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 N--CA 1.439 -0.985 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.675 ' SG ' HG21 ' A' ' 136' ' ' THR . 19.4 p -133.49 130.37 38.46 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 120.848 0.356 . . . . 0.0 110.377 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -106.76 95.82 6.0 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.508 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -116.18 138.86 50.91 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.003 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -90.4 121.94 32.82 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.487 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.74 173.6 6.65 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.812 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.468 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . . . -98.82 120.52 39.39 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.33 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.464 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 5.7 t80 -72.35 95.6 1.76 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.962 0.41 . . . . 0.0 109.918 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.3 tp -77.03 -56.92 4.16 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.51 165.79 37.91 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 119.662 -1.256 . . . . 0.0 113.529 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.543 ' HA ' ' O ' ' A' ' 119' ' ' CYS . 28.7 t -144.85 109.65 5.02 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.402 ' HE2' ' HB1' ' A' ' 43' ' ' ALA . 2.4 mpp? -107.7 157.7 17.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.708 -175.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.423 HD23 ' CE1' ' A' ' 118' ' ' TYR . 97.2 mt -96.31 105.45 17.52 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.73 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.1 mm -94.5 117.45 38.24 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.91 -76.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -98.84 108.19 20.81 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -85.09 118.57 24.73 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.923 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -117.21 83.82 2.05 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.616 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.2 -153.24 35.56 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.396 -0.82 . . . . 0.0 114.635 176.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 t -76.68 -2.47 33.0 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.258 0.623 . . . . 0.0 110.955 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -61.85 -50.09 73.65 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.638 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.9 t -74.94 -27.76 60.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.042 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.2 p -67.05 -44.82 79.21 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 120.254 -0.579 . . . . 0.0 109.826 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -69.68 -30.65 68.36 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.724 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.42 -53.2 60.87 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.234 0.54 . . . . 0.0 109.816 175.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.402 ' HB1' ' HE2' ' A' ' 29' ' ' MET . . . -63.26 -46.37 87.17 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.096 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.5 t -59.19 -59.5 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.466 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.69 82.59 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.523 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -58.17 -55.12 39.07 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.931 0.395 . . . . 0.0 111.179 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 49.1 mtm -70.73 -37.41 73.49 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.849 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -63.07 -34.08 76.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.816 0.341 . . . . 0.0 110.485 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.33 -33.7 58.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.945 0.402 . . . . 0.0 110.548 176.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -77.05 -27.03 54.26 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.631 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.8 t . . . . . 0 C--N 1.32 -0.716 0 CA-C-O 120.89 0.376 . . . . 0.0 110.604 179.717 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 24' ' ' ALA . 27.3 m . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -49.04 134.24 29.37 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.931 2.421 . . . . 0.0 112.578 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.8 m -84.72 131.64 34.55 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.543 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.52 HD13 ' HB3' ' A' ' 75' ' ' PHE . 1.3 tt -116.41 135.55 56.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.104 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.57 100.05 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.2 mt -83.27 94.77 7.98 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 p -102.72 97.95 8.05 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.488 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.402 HG11 ' SG ' ' A' ' 19' ' ' CYS . 1.4 p -106.3 127.21 61.74 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.905 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.2 m -118.52 159.89 22.72 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.309 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.75 -12.93 39.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.65 0.262 . . . . 0.0 111.535 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -111.68 4.82 18.84 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.755 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 156.42 166.3 16.01 Favored Glycine 0 C--O 1.22 -0.761 0 C-N-CA 119.837 -1.173 . . . . 0.0 112.295 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.4 p -131.49 129.16 61.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.265 0.555 . . . . 0.0 111.293 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -118.52 135.51 54.36 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.989 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.52 ' HB3' HD13 ' A' ' 64' ' ' ILE . 4.3 m-85 -117.98 112.46 20.3 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.17 -176.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.444 HD11 ' N ' ' A' ' 76' ' ' ILE . 3.5 mp -124.28 149.3 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-O 120.638 0.256 . . . . 0.0 110.983 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.629 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -86.9 149.34 24.87 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.903 0.481 . . . . 0.0 110.796 178.206 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.4 -17.28 20.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 m -69.19 -54.23 15.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.877 0.37 . . . . 0.0 111.532 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -125.85 4.36 7.36 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.234 0.54 . . . . 0.0 110.091 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 13.5 mptt 66.51 38.06 4.33 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.645 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -86.88 130.44 34.46 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.409 HD11 ' N ' ' A' ' 83' ' ' ILE . 3.3 mp -75.32 114.2 15.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-O 120.64 0.257 . . . . 0.0 110.408 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.2 mp -68.74 -46.35 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.246 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -170.76 171.25 6.23 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.366 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -153.16 120.62 5.92 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -139.72 153.14 47.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.078 0.465 . . . . 0.0 111.635 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.07 147.38 38.7 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 175.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.6 tp -59.33 -39.28 78.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -175.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -70.32 -7.51 43.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.511 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -96.15 -2.28 46.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.975 0.417 . . . . 0.0 111.035 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 28.8 mt -74.61 111.65 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.814 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.1 m -55.62 -51.45 67.14 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.538 -177.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 48.9 t -169.36 160.43 9.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.427 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.9 132.19 23.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.355 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -141.84 164.98 28.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.729 0.3 . . . . 0.0 110.927 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.406 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 29.8 pt20 -128.71 162.32 27.64 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.75 123.35 83.97 Favored Pre-proline 0 C--N 1.317 -0.84 0 CA-C-O 120.882 0.372 . . . . 0.0 111.364 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -63.16 -29.15 73.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.589 2.193 . . . . 0.0 111.676 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -88.24 -6.8 57.6 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.699 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -154.34 102.61 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.954 0.407 . . . . 0.0 110.505 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.1 mt -80.43 13.98 2.21 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.527 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.1 t -118.09 13.36 13.84 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.2 m -135.05 134.19 40.13 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.891 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.406 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 32.1 p90 -138.55 149.16 45.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.172 0.51 . . . . 0.0 111.896 -177.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -139.32 124.25 18.72 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.184 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -133.9 164.16 27.89 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.982 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.31 137.64 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.921 0 CA-C-O 121.204 0.526 . . . . 0.0 112.132 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 118' ' ' TYR . 50.6 p -139.79 123.06 16.99 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.338 -1.301 . . . . 0.0 109.215 178.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.86 133.82 34.53 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.299 -0.561 . . . . 0.0 111.113 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -115.92 141.21 48.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.64 -177.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.0 tt -59.27 -34.6 72.46 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.545 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.69 -7.68 57.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.077 0.465 . . . . 0.0 110.858 -177.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.404 ' HB2' ' CE2' ' A' ' 118' ' ' TYR . 33.0 t -98.78 -43.63 6.7 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.542 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 19.1 m120 70.52 5.24 5.3 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.403 -177.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -129.42 -179.98 5.46 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.084 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -98.11 114.4 26.58 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.384 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 109' ' ' THR . 10.6 m-85 -78.24 108.76 11.8 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.657 178.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 28' ' ' SER . 47.2 t -88.24 92.72 9.27 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -89.51 104.83 17.35 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.675 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.7 p -114.51 115.08 48.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 CA-C-O 121.436 0.636 . . . . 0.0 109.964 178.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 16.6 m-85 -128.71 162.18 27.97 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.588 -177.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.2 t -122.03 138.5 54.41 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.111 0.481 . . . . 0.0 110.579 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.17 159.62 18.8 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.508 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -85.6 -10.42 55.88 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 120.973 0.416 . . . . 0.0 110.208 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -144.42 146.53 32.54 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.545 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 72.3 t -61.77 -46.69 95.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.898 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -63.7 -32.75 74.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.182 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -61.36 -51.03 70.52 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.04 98.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.556 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.3 -45.2 88.41 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.144 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -60.43 -47.92 84.01 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.671 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 79.2 mt -54.84 -55.43 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.121 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 50.8 mm -62.12 -34.5 63.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.075 0.464 . . . . 0.0 110.876 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.78 -54.32 37.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.752 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.675 HG21 ' SG ' ' A' ' 19' ' ' CYS . 9.5 t -68.77 -31.46 70.5 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.606 -178.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 51.3 mt -61.95 -52.03 65.71 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 175.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -61.64 -45.41 96.34 Favored Glycine 0 C--O 1.217 -0.908 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.746 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -56.87 -48.75 77.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.877 0.37 . . . . 0.0 110.921 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.57 84.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.358 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -75.7 -35.34 60.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.031 0.443 . . . . 0.0 110.565 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -72.17 -43.46 64.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.872 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.07 -24.39 35.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-O 120.996 0.427 . . . . 0.0 111.101 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.208 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.447 -0.613 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.469 ' HB2' HG11 ' A' ' 68' ' ' VAL . 89.2 m -118.53 117.73 29.79 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -115.5 105.59 12.98 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.585 -177.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.443 ' HB3' HD23 ' A' ' 129' ' ' LEU . 70.2 m-85 -124.09 151.79 43.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -176.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -104.46 134.1 48.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.48 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.29 170.67 15.52 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HB3' ' OG1' ' A' ' 123' ' ' THR . . . -97.95 125.28 42.79 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 178.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.576 ' O ' HG21 ' A' ' 61' ' ' VAL . 36.7 t80 -70.78 96.17 1.22 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.697 -177.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.408 ' HB3' ' O ' ' A' ' 121' ' ' VAL . 24.9 tp -78.26 -51.6 9.91 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 167.97 158.7 12.39 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 119.443 -1.361 . . . . 0.0 113.734 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.4 p -112.61 109.27 18.71 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.431 ' HE3' ' SD ' ' A' ' 47' ' ' MET . 1.1 mpp? -104.41 140.07 38.46 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.267 -175.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' A' ' 116' ' ' HIS . 36.6 tp -96.69 125.74 41.37 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.6 mm -105.58 126.01 60.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.746 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -62.93 -58.73 6.36 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.542 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -117.69 105.56 12.14 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.121 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.449 HD22 HD13 ' A' ' 108' ' ' ILE . 0.8 OUTLIER -75.92 128.52 35.26 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.412 -177.653 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.406 ' N ' HD12 ' A' ' 34' ' ' LEU . 43.9 ptt85 -141.9 93.97 2.62 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.341 0.591 . . . . 0.0 111.885 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.32 -163.32 17.32 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-N 115.346 -0.843 . . . . 0.0 114.441 176.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.3 p -80.62 -1.77 43.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.314 0.578 . . . . 0.0 111.138 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -73.63 -20.81 60.48 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.1 m -71.39 -40.99 70.19 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.585 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.6 p -69.07 -40.16 78.65 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.956 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -58.15 -45.64 87.07 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.846 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -57.28 -50.64 72.28 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.46 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.77 -54.98 26.73 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.759 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 82.4 m -51.6 -52.73 45.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.167 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.67 89.64 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.991 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -56.73 -60.12 4.02 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.481 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.431 ' SD ' ' HE3' ' A' ' 29' ' ' MET . 4.4 mpp? -69.76 -38.12 76.64 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -176.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -66.25 -37.71 86.15 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.591 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.96 -41.91 77.35 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.004 0.431 . . . . 0.0 109.892 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -62.43 -37.0 84.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.521 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.5 t . . . . . 0 CA--C 1.535 0.383 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.57 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.576 HG21 ' O ' ' A' ' 25' ' ' TYR . 7.5 p . . . . . 0 CA--C 1.544 0.726 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -88.01 163.1 7.35 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.748 2.299 . . . . 0.0 111.791 176.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.5 m -94.59 129.68 41.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.951 0.405 . . . . 0.0 110.86 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.47 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -111.69 136.27 48.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.069 179.046 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.8 mt -104.77 113.75 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 176.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.517 HD23 ' CD1' ' A' ' 75' ' ' PHE . 4.4 mp -92.5 105.92 18.0 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.283 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.3 m -96.72 95.68 8.08 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.144 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.469 HG11 ' HB2' ' A' ' 19' ' ' CYS . 3.1 p -106.87 130.05 59.48 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.019 -176.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 t -124.27 156.78 36.3 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.61 -13.7 61.45 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -113.88 7.92 17.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.727 0.299 . . . . 0.0 111.494 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.43 152.19 7.01 Favored Glycine 0 C--O 1.219 -0.801 0 C-N-CA 120.065 -1.064 . . . . 0.0 111.824 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.7 p -135.14 130.18 51.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-O 121.069 0.461 . . . . 0.0 111.398 -176.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -130.64 128.19 40.46 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.52 0.676 . . . . 0.0 111.395 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.517 ' CD1' HD23 ' A' ' 66' ' ' LEU . 22.2 m-85 -104.0 114.13 28.17 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.554 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.1 mt -120.1 150.39 22.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.406 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -72.01 149.72 44.69 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.18 -25.42 29.56 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -175.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 m -94.53 -55.17 3.24 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -114.18 20.55 15.5 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.877 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt 48.4 31.5 2.8 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.856 0.862 . . . . 0.0 112.39 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -55.41 125.81 22.44 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.02 177.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 83' ' ' ILE . 3.6 mp -72.76 100.83 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.084 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.1 mt -82.92 -60.23 2.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -177.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.59 113.73 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.894 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.13 121.08 42.7 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.935 176.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -150.42 -171.52 3.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.296 0.57 . . . . 0.0 111.505 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.88 154.0 21.16 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.14 177.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.4 tp -61.37 -25.08 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 120.817 0.341 . . . . 0.0 111.628 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -65.37 -24.67 67.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.145 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -84.86 -10.04 57.54 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 120.815 0.34 . . . . 0.0 111.296 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 30.1 mt -82.94 112.23 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 176.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.7 t -79.3 -36.88 38.94 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.386 -175.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.5 t -157.53 162.56 38.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.814 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.01 107.24 4.54 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.15 -179.14 4.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.324 0.583 . . . . 0.0 111.9 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 6.6 pt20 -141.27 163.92 31.65 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.52 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.37 139.96 92.41 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-O 120.523 0.201 . . . . 0.0 110.766 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -53.22 -48.13 23.75 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.212 2.608 . . . . 0.0 113.891 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -103.15 -28.36 11.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -175.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -103.64 104.87 14.97 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.056 0.455 . . . . 0.0 110.558 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -82.8 7.63 14.6 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.245 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.7 t -104.55 3.19 31.59 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.1 m -119.72 124.0 45.15 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.909 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 122' ' ' PHE . 44.4 p90 -124.74 153.74 41.94 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.765 0.316 . . . . 0.0 110.993 -178.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 120' ' ' HIS . . . -147.53 118.53 7.69 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.567 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -109.3 148.44 31.03 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.239 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.449 HD13 HD22 ' A' ' 34' ' ' LEU . 74.7 mt -110.26 126.57 67.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.002 -177.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.8 p -116.96 140.72 49.14 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.368 178.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -85.86 98.29 10.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.479 0.657 . . . . 0.0 109.924 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -89.41 98.79 11.97 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.106 -175.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.2 -23.29 67.26 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.818 -175.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -80.18 -13.16 59.47 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.69 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.4 p -111.44 -4.77 14.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.94 0.4 . . . . 0.0 110.308 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 66.8 t30 67.82 6.84 5.33 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.753 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.4 ' HB2' HD12 ' A' ' 30' ' ' LEU . 97.3 m-70 -136.02 -171.58 2.91 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 121.947 -0.47 . . . . 0.0 111.0 -178.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -104.97 123.81 48.43 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.998 0.428 . . . . 0.0 111.641 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -93.25 120.27 33.35 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.063 177.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 24.5 p -102.01 121.24 41.8 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 106' ' ' ALA . 28.8 m170 -102.05 108.21 19.57 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.305 -177.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 7.6 p -101.61 122.36 53.67 Favored 'Isoleucine or valine' 0 C--O 1.247 0.967 0 CA-C-O 121.24 0.543 . . . . 0.0 110.233 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 22.7 m-85 -130.13 142.85 50.55 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.824 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' THR . . . . . 0.402 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 75.0 p -100.43 116.42 32.34 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.57 164.36 25.43 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 120.815 0.341 . . . . 0.0 110.497 -178.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -95.86 13.61 26.16 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.361 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -170.81 142.08 1.88 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.769 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.94 -53.79 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.954 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -63.22 -35.44 80.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.944 0.402 . . . . 0.0 110.554 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.443 HD23 ' HB3' ' A' ' 21' ' ' TYR . 5.2 tt -60.01 -48.11 83.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.498 178.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.06 -44.34 96.1 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.392 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.97 -40.21 84.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.553 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -61.8 -43.98 97.78 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.209 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 68.6 mt -59.69 -51.23 75.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.266 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.426 HD12 ' HB2' ' A' ' 105' ' ' PHE . 33.2 mm -62.48 -43.47 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.586 ' O ' ' HG2' ' A' ' 139' ' ' GLN . 9.9 tt -58.05 -47.75 82.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 32.5 m -63.61 -45.25 91.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 99.1 mt -57.31 -41.04 79.14 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.04 0.448 . . . . 0.0 109.793 176.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -64.52 -38.43 95.73 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.062 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 29.3 mm-40 -65.49 -42.85 91.72 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.989 0.423 . . . . 0.0 110.228 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.62 88.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.823 177.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.45 -34.61 78.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.955 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.65 -48.21 67.36 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.936 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.7 p -69.81 -22.2 24.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-O 120.986 0.422 . . . . 0.0 110.949 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.009 0.433 . . . . 0.0 110.861 178.645 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.435 -1.213 0 CA-C-O 120.984 0.421 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.9 m -111.48 105.28 13.83 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 176.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -108.61 114.57 28.49 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.754 -175.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -136.86 174.98 10.03 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -108.47 120.02 41.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.002 0.43 . . . . 0.0 110.529 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.09 176.05 5.18 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.562 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.473 ' HB3' ' OG1' ' A' ' 123' ' ' THR . . . -116.42 121.54 42.18 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -71.1 96.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.077 -176.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.475 ' HB3' ' O ' ' A' ' 121' ' ' VAL . 32.3 tp -78.64 -62.52 1.66 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.257 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.46 165.28 36.08 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 119.617 -1.278 . . . . 0.0 113.548 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.51 ' C ' ' HE1' ' A' ' 29' ' ' MET . 2.4 p -128.4 103.39 7.12 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 122.73 0.412 . . . . 0.0 110.259 178.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.51 ' HE1' ' C ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -92.81 158.29 15.96 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 120.905 0.383 . . . . 0.0 111.324 -177.669 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.5 mt -104.55 117.13 33.38 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.8 mm -96.24 131.0 44.12 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.07 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -82.91 -69.0 0.66 Allowed 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -92.44 107.84 19.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.782 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.427 HD22 HD13 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -89.35 111.62 22.52 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -178.285 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.49 109.33 5.46 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.272 0.558 . . . . 0.0 111.769 -179.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.71 -144.61 30.19 Favored Glycine 0 C--N 1.331 0.259 0 CA-C-N 115.215 -0.902 . . . . 0.0 113.463 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.4 t -97.17 9.24 42.71 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.095 0.474 . . . . 0.0 110.243 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -68.93 -39.27 79.7 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.08 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.0 m -62.5 -44.55 96.1 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.4 p -68.52 -42.8 78.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.441 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -63.92 -35.66 81.4 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.969 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.97 -60.06 4.43 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.185 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.57 84.76 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.083 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.9 t -58.49 -60.82 3.2 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.403 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.27 86.44 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -176.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -61.32 -52.05 66.31 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.252 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 48.1 mtm -72.93 -38.74 66.72 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.465 -0.494 . . . . 0.0 112.117 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -57.01 -46.62 82.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.796 0.332 . . . . 0.0 110.508 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.92 -47.85 56.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.54 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -57.27 -38.85 74.53 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.637 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.464 -178.745 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.423 HG22 ' HB2' ' A' ' 24' ' ' ALA . 32.5 m . . . . . 0 CA--C 1.541 0.605 0 CA-C-O 120.45 0.167 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.35 144.48 91.2 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.091 2.528 . . . . 0.0 112.974 -178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.1 m -84.01 135.74 34.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.107 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.433 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -129.31 128.8 66.92 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.763 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.78 109.42 9.34 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.587 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.99 99.17 11.95 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.296 -178.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.8 t -112.55 116.14 29.75 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 121.382 0.611 . . . . 0.0 110.052 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 p -123.36 134.31 66.66 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.529 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.7 p -145.14 161.81 38.58 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.38 -1.66 13.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.079 0.466 . . . . 0.0 110.693 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -105.25 -9.09 17.89 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.618 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 154.03 171.11 20.72 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.234 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.5 m -124.47 136.52 60.29 Favored 'Isoleucine or valine' 0 C--O 1.248 0.999 0 CA-C-O 121.295 0.569 . . . . 0.0 111.591 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -122.93 122.54 38.82 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.062 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.433 ' HB3' HD11 ' A' ' 64' ' ' ILE . 22.5 m-85 -123.92 98.86 5.99 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.3 mp -117.46 144.65 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.976 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.708 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 7.8 t70 -74.76 143.23 44.15 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.554 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.42 -19.87 16.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.913 0.387 . . . . 0.0 110.684 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -63.73 -50.7 68.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.059 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -139.1 23.98 2.56 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.708 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 64.1 pttt 52.87 32.44 12.46 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.363 1.065 . . . . 0.0 112.236 178.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -65.47 123.64 20.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.242 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.8 mt -72.83 101.11 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.9 mt -81.52 -65.34 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.623 -176.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.45 141.22 10.42 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.41 -0.516 . . . . 0.0 112.235 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -140.38 121.25 14.49 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -147.31 171.95 14.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.316 0.579 . . . . 0.0 112.184 -175.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -66.19 145.3 55.94 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.869 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.4 tt -63.25 -31.17 51.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.168 0.509 . . . . 0.0 110.62 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -68.86 -8.58 45.16 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.384 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -16.24 57.72 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.064 0.459 . . . . 0.0 109.847 178.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.5 mt -82.32 138.72 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.867 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.5 m -92.6 -42.79 9.47 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.522 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.7 t -164.47 170.47 15.89 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.814 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.28 121.4 16.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.211 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.58 179.45 5.93 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.435 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -148.65 173.92 12.7 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.44 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 11.1 t70 -70.94 131.36 87.44 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 31.6 Cg_exo -58.94 -27.13 83.77 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 123.074 2.516 . . . . 0.0 114.199 -176.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -115.6 -34.0 5.02 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.371 -0.532 . . . . 0.0 112.081 -178.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -102.13 96.19 6.83 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-O 121.22 0.533 . . . . 0.0 109.959 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -75.05 12.34 0.91 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.532 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.4 t -104.71 12.06 33.28 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 m -130.14 123.06 29.45 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.826 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -121.79 145.96 47.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.005 0.431 . . . . 0.0 110.826 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 121' ' ' VAL . . . -138.74 111.97 8.03 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.724 -178.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -103.86 144.31 31.67 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 120.961 0.41 . . . . 0.0 110.225 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.427 HD13 HD22 ' A' ' 34' ' ' LEU . 61.1 mt -106.1 125.3 61.71 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.191 -178.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.9 p -114.17 149.49 35.62 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 123.676 0.61 . . . . 0.0 110.569 178.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -107.11 99.34 8.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.25 0.548 . . . . 0.0 110.815 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -100.81 97.67 8.26 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.94 -178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -60.23 -19.51 54.85 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.73 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -66.96 -36.4 82.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.547 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.2 t -98.09 -12.07 22.22 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.263 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 63.04 24.17 14.37 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.757 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -144.12 155.93 44.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.667 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -84.28 130.48 34.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.475 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -93.78 125.2 38.26 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.721 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 54.0 t -104.52 96.75 6.81 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -91.92 103.99 16.46 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.475 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 2.4 p -110.79 119.55 59.72 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.578 -178.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -126.34 156.93 39.68 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.82 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' THR . . . . . 0.473 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 40.2 p -102.93 164.47 11.6 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -121.46 160.02 25.04 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 120.8 0.333 . . . . 0.0 110.505 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -87.52 -11.81 47.72 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.698 178.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -144.03 133.26 23.07 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.358 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.62 -50.56 79.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.645 -178.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.58 -37.43 78.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.554 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.12 -50.93 71.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.053 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.41 -44.22 97.51 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.839 0.352 . . . . 0.0 110.959 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.23 76.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.395 178.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.59 -39.63 88.51 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.613 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 70.0 mt -62.12 -47.17 94.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.098 177.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 40.5 mm -60.35 -43.07 92.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 121.136 0.493 . . . . 0.0 110.414 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.77 -50.66 72.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.716 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 56.1 m -60.16 -50.64 72.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.284 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 69.0 mt -54.91 -47.81 73.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.656 0.265 . . . . 0.0 111.01 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.05 -53.28 47.04 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.315 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -60.88 -49.39 77.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 111.257 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.7 93.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.897 -177.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -71.13 -32.11 68.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.794 0.331 . . . . 0.0 110.865 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -71.72 -45.34 62.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.623 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.63 -22.6 25.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 121.047 0.451 . . . . 0.0 110.762 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 121.209 0.528 . . . . 0.0 110.209 177.484 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 39.6 p . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.74 0.305 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.411 ' SG ' HG23 ' A' ' 136' ' ' THR . 27.7 p -148.14 158.71 44.23 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 120.76 0.314 . . . . 0.0 111.084 -178.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -121.18 105.27 10.43 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -118.23 133.22 56.08 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 120.767 0.318 . . . . 0.0 111.091 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -79.67 111.5 16.03 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 121.145 0.498 . . . . 0.0 110.931 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.24 164.97 11.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.478 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.47 ' HB3' ' OG1' ' A' ' 123' ' ' THR . . . -99.89 126.13 45.98 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.466 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 5.4 t80 -72.37 100.74 2.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -177.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.0 tp -84.29 -57.4 3.18 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.56 145.13 6.18 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 119.257 -1.449 . . . . 0.0 113.894 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -106.23 108.73 20.39 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 175.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.631 ' HE1' ' SD ' ' A' ' 47' ' ' MET . 1.7 tpp -110.79 139.51 46.02 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.028 0.442 . . . . 0.0 111.737 -174.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -92.19 117.19 29.63 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.748 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mm -106.73 164.31 4.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -80.34 -141.48 0.04 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -77.67 75.86 4.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.426 0.632 . . . . 0.0 111.004 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' HB3' ' OG ' ' A' ' 39' ' ' SER . 1.6 mm? -107.83 114.63 28.72 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.88 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -117.64 29.87 7.6 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.102 -174.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -146.01 -179.75 22.44 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.735 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.0 p -75.72 -3.28 33.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.226 0.536 . . . . 0.0 111.171 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.28 -38.63 74.23 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.495 ' OG ' ' HB3' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -65.8 -48.16 72.7 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.641 -179.151 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.2 p -61.52 -45.98 91.9 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.8 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -64.48 -43.03 95.47 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.347 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -64.0 -57.04 10.88 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.24 -177.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.67 -51.84 68.07 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.38 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.5 t -57.94 -42.35 84.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.494 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.34 95.01 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.877 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -56.88 -60.53 3.43 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.6 178.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.631 ' SD ' ' HE1' ' A' ' 29' ' ' MET . 5.1 mpp? -64.87 -39.44 93.55 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.986 -178.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.2 ttm-85 -56.16 -40.78 74.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.801 0.334 . . . . 0.0 111.138 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.81 -27.29 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -93.47 -4.52 51.05 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.9 p . . . . . 0 N--CA 1.47 0.564 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.572 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.244 0.766 0 CA-C-O 120.424 0.154 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -53.46 129.56 34.33 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.571 2.18 . . . . 0.0 111.64 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.2 m -82.9 123.89 29.82 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.503 HD12 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -109.1 121.72 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.114 -179.002 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 54.8 mt -75.88 105.8 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.285 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.84 91.51 3.54 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.836 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.2 m -99.51 96.65 7.82 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-O 121.678 0.752 . . . . 0.0 111.133 -177.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.6 p -98.56 124.38 51.68 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.9 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.6 t -129.32 171.93 12.0 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.227 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.34 104.97 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.072 -177.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.7 mttp 69.9 0.9 3.23 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.952 0.901 . . . . 0.0 112.809 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -143.14 117.68 1.14 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.162 -1.018 . . . . 0.0 112.359 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.3 t -113.91 131.49 65.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-O 121.099 0.476 . . . . 0.0 110.487 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.41 135.34 51.29 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.558 0.694 . . . . 0.0 111.085 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.503 ' HB3' HD12 ' A' ' 64' ' ' ILE . 12.7 m-85 -110.82 117.53 33.66 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.551 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.2 mt -124.37 154.13 31.36 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.934 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.427 -175.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.668 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 27.5 t70 -80.47 150.71 29.6 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.02 -43.44 13.13 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.8 m -77.87 -49.84 13.44 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -175.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -91.3 -17.66 25.58 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 121.023 0.44 . . . . 0.0 110.316 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.668 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 58.2 mttm 61.47 23.57 13.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.055 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -74.71 138.81 43.02 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.546 -1.207 . . . . 0.0 109.351 178.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.7 tp -72.7 128.76 35.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 42.3 mm -85.65 -55.24 6.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -175.34 151.89 1.31 Allowed 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.375 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -128.53 133.38 48.4 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -147.78 164.65 32.96 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.862 0.363 . . . . 0.0 110.67 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -88.16 165.27 15.21 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.052 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.3 mm -59.75 -30.4 44.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.02 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -63.41 -18.75 64.04 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.504 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 109' ' ' THR . 19.8 m120 -84.9 -25.83 27.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.782 0.325 . . . . 0.0 110.501 178.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 54.2 mt -89.39 107.19 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.2 t -102.04 -34.09 9.46 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.484 -177.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 33.6 m -127.69 110.45 12.67 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.967 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.71 97.67 7.36 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.0 -176.62 3.31 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.874 0.369 . . . . 0.0 110.551 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.482 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 5.1 pm0 -134.19 172.93 12.17 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.122 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -63.52 139.33 97.58 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.628 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -56.53 -39.52 90.73 Favored 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 123.434 2.756 . . . . 0.0 114.167 -178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -105.74 -29.73 9.88 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -175.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -113.92 124.09 51.35 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.12 0.486 . . . . 0.0 111.715 -177.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -84.49 -1.31 55.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.934 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.7 t -96.89 13.61 28.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.32 0.581 . . . . 0.0 110.092 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.5 m -132.93 131.58 41.02 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.586 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.482 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 39.8 p90 -123.63 149.91 44.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.983 0.42 . . . . 0.0 111.061 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.75 125.99 16.51 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.067 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 41.8 p90 -120.12 141.71 49.57 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 121.038 0.447 . . . . 0.0 111.112 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 31.5 mt -105.94 122.42 59.52 Favored 'Isoleucine or valine' 0 C--O 1.255 1.37 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.869 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 91' ' ' ASN . 13.4 p -111.12 130.0 55.76 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.151 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.54 112.25 24.07 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.159 0.504 . . . . 0.0 111.186 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -103.8 108.42 19.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.245 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.6 pp -68.76 -1.3 6.75 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -98.31 -18.99 18.05 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.749 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 116' ' ' HIS . 39.9 t -106.42 -28.83 10.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.459 ' HB3' ' O ' ' A' ' 114' ' ' SER . 34.7 t-20 77.39 -33.25 0.19 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -176.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.499 ' H ' ' C ' ' A' ' 114' ' ' SER . 54.2 m-70 -79.67 138.96 37.52 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.521 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -89.7 120.57 31.08 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.096 0.474 . . . . 0.0 110.609 -178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -76.37 115.15 15.85 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.179 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 49.7 t -107.95 109.52 21.03 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 60.6 m-70 -105.27 116.08 31.34 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -178.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.18 126.09 67.42 Favored 'Isoleucine or valine' 0 C--O 1.25 1.096 0 CA-C-O 121.207 0.527 . . . . 0.0 110.33 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 24.8 m-85 -128.92 143.3 50.85 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.79 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' THR . . . . . 0.47 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 41.4 p -98.12 137.13 37.35 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.149 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -94.44 151.86 19.05 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -82.55 -1.73 51.52 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.471 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -159.83 147.36 16.76 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.905 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.98 -40.57 89.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.819 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -65.39 -36.85 85.21 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -59.95 -46.55 89.03 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.138 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.04 99.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.564 177.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.3 91.7 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.593 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -57.34 -49.85 74.84 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.596 177.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.0 mt -62.46 -47.41 93.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 21.0 mm -57.85 -46.93 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 120.834 0.349 . . . . 0.0 110.451 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.5 tt -59.53 -53.22 60.61 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.012 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.411 HG23 ' SG ' ' A' ' 19' ' ' CYS . 8.8 m -61.42 -46.5 89.88 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.549 -177.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.2 -45.37 93.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.917 0.389 . . . . 0.0 110.78 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -61.99 -48.91 80.29 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.433 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.63 -39.1 93.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.549 0.214 . . . . 0.0 111.38 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.36 99.26 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.845 0.355 . . . . 0.0 110.58 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -69.24 -40.31 77.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.636 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -63.17 -55.61 23.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.786 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.99 -29.49 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.781 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.144 0 CA-C-O 120.896 0.379 . . . . 0.0 111.297 -179.79 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.0 p . . . . . 0 N--CA 1.448 -0.569 0 CA-C-O 120.735 0.303 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.557 ' HB3' ' CE2' ' A' ' 21' ' ' TYR . 87.3 m -109.18 109.29 20.21 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.325 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -104.38 106.05 16.4 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.152 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 19' ' ' CYS . 39.0 m-85 -129.89 178.38 6.56 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.619 0.247 . . . . 0.0 110.779 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -110.8 128.13 55.64 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.99 162.83 22.63 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.566 ' HB3' ' OG1' ' A' ' 123' ' ' THR . . . -102.32 129.14 48.67 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 2.9 t80 -73.6 95.09 2.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -176.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 tp -81.88 -57.75 3.29 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.356 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.56 163.66 30.23 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 118.933 -1.603 . . . . 0.0 114.023 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.7 p -118.51 102.84 9.21 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 176.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.5 tpp -98.71 134.33 41.78 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.63 -174.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.514 HD23 ' CG ' ' A' ' 116' ' ' HIS . 6.0 tt -90.68 121.18 32.35 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.886 -178.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 mm -114.46 127.65 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.894 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -84.53 -40.22 17.87 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.888 0.375 . . . . 0.0 110.42 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -119.2 112.89 20.06 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.372 0.606 . . . . 0.0 110.794 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.433 HD22 ' HB2' ' A' ' 117' ' ' HIS . 3.2 mm? -86.2 99.87 11.84 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.869 -177.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -94.68 81.4 3.85 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.16 -136.21 49.82 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.369 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.2 p -95.49 -7.69 37.39 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.156 0.503 . . . . 0.0 109.833 178.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -56.63 -39.14 73.13 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.361 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.1 m -62.41 -48.36 80.04 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-O 120.887 0.375 . . . . 0.0 111.11 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.3 p -63.69 -37.24 86.62 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.234 0.54 . . . . 0.0 110.397 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -74.74 -27.92 60.56 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.878 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.62 -52.41 60.97 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.04 95.02 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.54 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.2 t -59.15 -61.01 2.96 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.49 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.6 -40.05 74.64 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 120.666 0.27 . . . . 0.0 111.107 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -55.37 -55.37 32.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.719 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 61.6 mtm -75.94 -28.75 58.09 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -64.06 -45.21 89.78 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.901 0.382 . . . . 0.0 109.982 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.06 63.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -91.02 -0.71 57.8 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.0 t . . . . . 0 C--O 1.234 0.26 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.615 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.505 ' HB ' ' HD2' ' A' ' 62' ' ' PRO . 3.9 m . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.505 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 6.4 Cg_endo -49.48 129.61 23.49 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 123.144 2.563 . . . . 0.0 113.29 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.1 m -83.99 128.33 34.47 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.28 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.462 HD13 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -119.12 131.88 70.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.642 -179.547 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 53.5 mt -77.56 109.76 12.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 CA-C-O 121.249 0.547 . . . . 0.0 109.767 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.93 97.13 10.77 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.525 -177.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.4 m -104.35 104.93 14.89 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.395 0.616 . . . . 0.0 110.464 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.41 120.61 60.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.197 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 m -121.95 153.29 38.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.11 -13.34 47.05 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -119.15 20.88 12.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.855 0.36 . . . . 0.0 110.895 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 146.48 160.56 8.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 119.933 -1.127 . . . . 0.0 112.739 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.4 m -120.25 142.39 36.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-O 121.242 0.544 . . . . 0.0 111.453 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -128.01 120.74 28.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.096 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.484 ' O ' ' HB ' ' A' ' 84' ' ' ILE . 12.4 m-85 -114.92 111.23 20.85 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.3 mp -119.71 145.09 26.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.735 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.597 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 8.0 t70 -75.7 141.18 42.76 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.265 177.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.36 12.19 37.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.777 0.322 . . . . 0.0 111.809 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 m -98.98 -58.56 1.91 Allowed 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.308 0.575 . . . . 0.0 110.389 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -124.01 16.24 9.26 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.014 -178.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.597 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 11.3 ptmm? 53.56 30.08 10.18 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.616 1.167 . . . . 0.0 111.983 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -71.01 132.83 45.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.397 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.3 mm -68.85 111.55 3.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-O 120.896 0.379 . . . . 0.0 110.268 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.484 ' HB ' ' O ' ' A' ' 75' ' ' PHE . 47.7 mm -67.83 -63.31 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -175.22 141.09 0.53 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.607 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.43 140.11 47.44 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 173.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -140.6 152.38 45.42 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.296 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.41 153.01 44.22 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 174.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.0 tp -59.85 -40.17 81.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.771 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.8 mtt-85 -71.54 -3.53 21.78 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -72.61 -28.03 62.52 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.2 mt -79.94 130.47 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t -93.97 -40.48 10.1 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.746 -177.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.1 t -163.66 170.25 17.37 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.975 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.87 130.98 34.69 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.725 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.59 -178.46 5.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.41 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -152.92 165.29 35.95 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.825 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -64.24 141.78 98.19 Favored Pre-proline 0 N--CA 1.469 0.499 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.95 -37.17 45.34 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.811 2.34 . . . . 0.0 113.453 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -108.11 -34.7 6.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -176.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -100.58 104.18 15.52 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.125 0.488 . . . . 0.0 110.243 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.03 0.7 34.62 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.744 -176.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.0 p -98.89 17.36 19.73 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.026 0.441 . . . . 0.0 110.591 177.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.0 m -132.48 118.27 19.09 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 122' ' ' PHE . 40.8 p90 -116.98 147.07 42.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.974 -178.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.9 111.34 7.53 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -107.5 143.44 35.89 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.049 0.452 . . . . 0.0 110.735 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 57.3 mt -98.1 125.34 51.39 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.205 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 64.0 p -119.35 164.95 14.93 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -110.98 135.91 50.78 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.019 178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -109.92 97.18 6.75 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.418 HD23 ' H ' ' A' ' 112' ' ' LEU . 2.5 pt? -61.92 -9.41 6.9 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -175.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -92.15 -32.03 15.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.123 0.487 . . . . 0.0 110.448 177.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.4 t -91.57 -22.78 20.15 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 19.7 m120 66.15 28.23 10.22 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.798 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.514 ' CG ' HD23 ' A' ' 30' ' ' LEU . 36.0 m80 -129.42 170.08 14.12 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.697 -178.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.433 ' HB2' HD22 ' A' ' 34' ' ' LEU . 12.3 m170 -103.75 124.29 48.62 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.7 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -104.47 119.2 38.42 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.806 -178.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 23.0 p -91.35 108.13 19.68 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.416 ' HB3' ' CE2' ' A' ' 122' ' ' PHE . 66.0 m80 -89.92 104.86 17.39 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.99 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.6 p -104.18 126.83 58.81 Favored 'Isoleucine or valine' 0 C--O 1.25 1.086 0 CA-C-O 121.543 0.687 . . . . 0.0 110.87 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 98.9 m-85 -127.5 145.88 50.69 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.199 -178.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' THR . . . . . 0.566 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 5.1 p -99.09 130.97 45.45 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.36 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.52 144.67 26.39 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -81.05 2.17 28.28 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.357 0.599 . . . . 0.0 109.882 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.416 ' OD1' ' HB3' ' A' ' 128' ' ' ASN . 17.7 t70 -151.99 131.46 12.98 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.894 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.24 -45.39 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-O 121.026 0.441 . . . . 0.0 111.187 -178.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.416 ' HB3' ' OD1' ' A' ' 126' ' ' ASP . 3.6 t30 -61.3 -44.42 97.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.019 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.487 HD23 ' CG ' ' A' ' 21' ' ' TYR . 3.2 tm? -54.36 -45.3 72.74 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.32 179.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.22 95.51 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.456 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.11 -38.99 88.27 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.942 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -60.3 -48.83 80.06 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.309 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.47 -46.0 89.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.914 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 37.2 mm -60.34 -43.99 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.056 0.455 . . . . 0.0 110.215 177.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.17 -43.76 98.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.025 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 27.7 m -61.66 -49.81 75.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.714 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.76 -44.77 96.32 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.062 0.458 . . . . 0.0 110.39 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.01 -45.24 94.03 Favored Glycine 0 N--CA 1.443 -0.833 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.14 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -70.02 -28.61 65.63 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 120.39 0.138 . . . . 0.0 111.255 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.93 97.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.946 0.403 . . . . 0.0 109.967 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -72.15 -41.92 66.55 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.473 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.37 -48.21 81.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.894 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.7 p -68.97 -10.25 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-O 120.989 0.424 . . . . 0.0 111.38 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.425 0 CA-C-O 121.17 0.509 . . . . 0.0 110.125 177.591 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 N--CA 1.44 -0.95 0 CA-C-O 121.157 0.503 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.416 ' SG ' HG22 ' A' ' 136' ' ' THR . 31.0 p -158.63 152.32 23.31 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.296 175.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -137.6 115.86 11.81 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.102 -177.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -133.17 175.97 8.92 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.716 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.14 110.68 21.31 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.221 0.534 . . . . 0.0 110.359 177.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.89 171.03 7.63 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.252 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.03 130.43 55.48 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.27 97.18 1.2 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.032 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.432 HD12 ' OG1' ' A' ' 123' ' ' THR . 14.2 tp -80.2 -60.07 2.47 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.322 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.413 ' HA3' ' SD ' ' A' ' 47' ' ' MET . . . -170.97 156.21 26.14 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 119.56 -1.305 . . . . 0.0 113.621 178.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t -123.66 105.51 9.77 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.405 ' HE3' ' SD ' ' A' ' 47' ' ' MET . 1.3 mpp? -113.58 138.63 49.9 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.028 0.442 . . . . 0.0 111.769 -175.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 116' ' ' HIS . 51.2 tp -108.47 127.55 54.01 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.564 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -108.82 136.28 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -54.68 -67.44 0.27 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.577 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -142.33 126.67 17.65 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.484 HD13 ' H ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -157.34 153.31 27.15 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -175.515 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.484 ' H ' HD13 ' A' ' 34' ' ' LEU . 37.7 ptt180 -134.47 145.94 49.3 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.8 0.333 . . . . 0.0 110.684 177.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.69 -177.13 52.45 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.967 -0.635 . . . . 0.0 113.25 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 7.9 p -75.29 8.33 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.286 0.634 . . . . 0.0 111.633 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -61.45 -36.49 80.52 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.15 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 m -62.93 -44.95 94.69 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-O 121.063 0.459 . . . . 0.0 110.83 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.55 ' HA ' ' SG ' ' A' ' 119' ' ' CYS . 44.9 p -67.68 -52.57 36.31 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.512 -176.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 37' ' ' THR . 19.8 pt20 -63.54 -37.55 87.72 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -64.29 -62.01 1.88 Allowed 'General case' 0 C--O 1.242 0.7 0 CA-C-O 120.919 0.39 . . . . 0.0 110.835 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.17 98.22 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.012 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.8 t -63.71 -50.72 68.06 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.217 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.79 -43.46 85.63 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.742 0.306 . . . . 0.0 111.017 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -57.15 -53.82 53.8 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.965 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.413 ' SD ' ' HA3' ' A' ' 27' ' ' GLY . 66.0 mtm -72.98 -28.29 62.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -177.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -61.87 -50.93 70.25 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.82 -38.19 90.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.755 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -69.47 -29.33 66.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.666 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.1 t . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.043 -179.025 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.3 153.98 24.58 Favored 'Trans proline' 0 C--O 1.239 0.534 0 C-N-CA 122.448 2.098 . . . . 0.0 112.256 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.8 m -86.87 136.57 32.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.662 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -126.39 129.14 71.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.833 -179.291 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.3 mp -73.78 112.57 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.63 98.3 11.59 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.136 -179.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -109.41 108.75 19.4 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-O 121.271 0.558 . . . . 0.0 110.002 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.0 126.19 75.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.574 -177.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.8 m -130.62 157.74 41.93 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.562 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.36 -11.28 30.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.807 0.337 . . . . 0.0 111.792 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -107.02 -6.06 17.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.485 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 164.36 161.55 13.66 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.215 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.7 p -132.83 131.78 59.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-O 120.978 0.418 . . . . 0.0 110.302 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.53 141.23 51.89 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.119 0.485 . . . . 0.0 111.233 -177.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.424 ' HB3' HD11 ' A' ' 64' ' ' ILE . 10.0 m-85 -126.35 105.73 9.0 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.163 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.432 ' O ' HG12 ' A' ' 64' ' ' ILE . 3.3 mp -122.24 140.19 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.699 -178.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.661 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -74.96 147.05 41.19 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.828 178.828 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.38 -18.0 24.96 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.705 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -67.06 -65.03 0.73 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.07 -178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -118.48 3.92 11.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.661 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 59.8 mttp 68.93 33.53 3.49 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.971 -177.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -66.92 130.35 42.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.196 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.8 tp -81.17 105.33 10.95 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 121.281 0.562 . . . . 0.0 110.581 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.2 mp -67.25 -51.25 55.12 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -170.66 151.79 3.63 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.145 0.498 . . . . 0.0 112.082 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -134.89 115.59 13.78 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -137.6 166.43 23.94 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.915 0.388 . . . . 0.0 110.5 -177.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -81.13 149.51 29.12 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 173.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.539 ' O ' HD11 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -58.63 -32.43 46.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-O 121.222 0.534 . . . . 0.0 110.139 -177.783 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 -62.59 -21.76 65.86 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.456 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -73.96 -12.67 60.71 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.715 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 29.3 mt -85.39 102.03 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.3 t -69.73 -34.1 73.39 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.652 -175.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.7 t -153.37 135.93 15.15 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.113 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.07 118.03 31.74 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.89 -174.02 3.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -147.18 173.79 12.2 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 15.4 t70 -69.08 138.36 89.81 Favored Pre-proline 0 C--N 1.326 -0.439 0 C-N-CA 121.001 -0.279 . . . . 0.0 110.821 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 31.1 Cg_exo -60.74 -30.02 89.47 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 123.065 2.51 . . . . 0.0 114.372 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -113.66 -33.87 5.7 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -176.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -110.0 109.99 20.76 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.243 0.544 . . . . 0.0 110.651 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.37 15.79 4.16 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.057 -176.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t -99.75 1.49 43.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.983 0.421 . . . . 0.0 110.109 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -132.73 132.47 42.34 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.34 0.59 . . . . 0.0 110.588 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 122' ' ' PHE . 42.2 p90 -114.16 149.86 35.04 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.913 -177.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.09 123.76 19.81 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.859 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -121.11 143.19 49.22 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 121.151 0.501 . . . . 0.0 111.156 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.472 HG21 ' CE1' ' A' ' 117' ' ' HIS . 30.7 mt -98.05 124.63 51.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.96 152.6 27.88 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.879 -173.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -137.15 119.09 15.27 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -149.96 175.65 11.49 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -175.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -23.51 63.85 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.991 0.424 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.86 18.36 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.718 0.77 . . . . 0.0 109.462 174.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.7 m -149.68 54.69 0.95 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.912 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -68.43 -27.28 66.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.879 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.444 ' HB2' HD11 ' A' ' 30' ' ' LEU . 79.6 m-70 -90.9 174.6 7.35 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.702 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.472 ' CE1' HG21 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -74.17 92.15 2.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.905 0.383 . . . . 0.0 111.696 -176.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.428 ' CE1' HD12 ' A' ' 30' ' ' LEU . 11.2 m-85 -87.38 118.56 26.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.79 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.55 ' SG ' ' HA ' ' A' ' 40' ' ' THR . 45.1 t -103.38 105.12 15.31 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -104.92 112.6 25.78 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.649 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.37 127.46 73.97 Favored 'Isoleucine or valine' 0 C--O 1.248 1.008 0 CA-C-O 121.345 0.593 . . . . 0.0 111.3 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 27.5 m-85 -125.71 135.07 51.69 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.823 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' THR . . . . . 0.432 ' OG1' HD12 ' A' ' 26' ' ' LEU . 86.1 m -95.76 121.52 37.57 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.617 -177.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.51 148.03 25.1 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -72.06 -33.31 67.85 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -113.99 134.82 54.59 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.261 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.48 -37.52 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.337 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -70.55 -31.02 67.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.123 0.487 . . . . 0.0 109.856 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 7.2 tt -67.65 -41.85 83.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.056 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.12 95.72 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.033 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.63 -38.69 85.61 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.795 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.16 -46.53 88.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.187 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 63.0 mt -60.35 -44.21 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.634 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.82 -42.25 91.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 110.455 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.3 tt -65.25 -44.46 88.06 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.416 HG22 ' SG ' ' A' ' 19' ' ' CYS . 25.6 m -61.09 -51.17 70.28 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.471 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 92.3 mt -55.98 -48.87 75.05 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.925 0.393 . . . . 0.0 110.681 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.78 -49.14 80.79 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.847 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -68.94 -35.39 76.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.938 0.399 . . . . 0.0 111.161 -178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.426 ' O ' HG13 ' A' ' 143' ' ' VAL . . . -68.2 -33.37 74.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.174 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -82.37 -37.69 25.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.254 0.55 . . . . 0.0 109.999 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.13 -35.62 81.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.327 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 140' ' ' ALA . 9.9 p -67.64 -16.04 20.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-O 120.96 0.41 . . . . 0.0 111.477 -178.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.4 0 CA-C-O 121.26 0.552 . . . . 0.0 110.253 178.461 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.445 -0.681 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.8 m -98.65 98.03 9.23 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.5 97.55 11.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -97.46 173.1 7.34 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.915 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -134.37 129.43 35.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.791 0.329 . . . . 0.0 110.29 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -138.28 176.06 9.03 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -99.89 122.93 43.57 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 178.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.05 92.71 2.17 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.435 ' HB3' HG13 ' A' ' 121' ' ' VAL . 38.2 tp -66.18 -51.98 52.62 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.856 -178.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.34 148.37 6.34 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 118.905 -1.617 . . . . 0.0 114.266 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 p -98.5 89.89 4.57 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 174.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.862 ' HE3' ' SD ' ' A' ' 47' ' ' MET . 2.1 tpp -90.09 140.71 29.39 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.384 -173.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.439 HD13 ' CE1' ' A' ' 118' ' ' TYR . 20.6 tp -93.87 127.99 39.91 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.742 -177.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.491 HD11 ' SG ' ' A' ' 119' ' ' CYS . 27.5 mm -104.37 122.79 57.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.039 -177.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -66.75 -26.94 67.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.417 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.412 ' H ' HG23 ' A' ' 31' ' ' ILE . 9.6 pt-20 -140.48 106.37 5.17 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.196 0.522 . . . . 0.0 110.522 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.9 95.12 2.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.313 0.577 . . . . 0.0 109.755 -178.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -100.69 36.58 1.89 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.527 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.82 -142.47 28.77 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.468 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.6 p -70.41 -16.6 62.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.294 0.569 . . . . 0.0 110.952 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -56.92 -42.59 80.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.589 176.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.403 ' HB3' HG21 ' A' ' 31' ' ' ILE . 1.1 m -60.05 -50.42 73.78 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.292 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.8 p -63.94 -39.74 94.84 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.151 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -67.95 -40.5 83.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.449 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.13 -49.89 74.08 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.118 0.485 . . . . 0.0 110.018 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.06 85.4 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.588 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 33.7 t -59.94 -55.2 37.08 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.904 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.02 -41.65 83.63 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.922 0.391 . . . . 0.0 110.967 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -57.66 -59.22 5.52 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.644 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.862 ' SD ' ' HE3' ' A' ' 29' ' ' MET . 46.5 mtm -66.4 -37.11 84.5 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.716 -178.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.6 ttt-85 -57.71 -49.26 77.13 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.24 -42.71 96.42 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.863 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.94 -33.22 75.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.687 -179.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.688 -177.882 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 24' ' ' ALA . 28.0 m . . . . . 0 N--CA 1.442 -0.832 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -53.32 139.89 63.43 Favored 'Trans proline' 0 C--O 1.239 0.552 0 C-N-CA 123.164 2.576 . . . . 0.0 113.508 -177.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.7 m -76.29 140.58 41.58 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.504 178.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.52 HD12 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -131.9 139.0 51.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.148 -177.015 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.406 ' N ' HD12 ' A' ' 65' ' ' ILE . 3.6 mp -86.1 111.92 21.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.305 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.3 mt -95.98 97.68 9.8 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.482 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.3 t -100.47 119.69 38.86 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-O 121.24 0.543 . . . . 0.0 110.651 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 p -117.35 131.39 70.22 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.755 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.9 p -142.39 176.78 8.74 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.544 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.62 113.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.415 ' HA ' ' CG2' ' A' ' 89' ' ' ILE . 0.0 OUTLIER 51.6 21.92 1.44 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.663 1.185 . . . . 0.0 113.641 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -149.14 136.38 5.78 Favored Glycine 0 CA--C 1.512 -0.148 0 C-N-CA 120.035 -1.079 . . . . 0.0 112.741 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.7 m -138.96 137.74 42.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-O 121.217 0.532 . . . . 0.0 111.1 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.462 ' CD ' HD13 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -139.16 142.36 37.98 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.112 0.482 . . . . 0.0 110.975 178.336 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.52 ' HB3' HD12 ' A' ' 64' ' ' ILE . 18.8 m-85 -129.4 120.45 25.54 Favored 'General case' 0 C--O 1.25 1.122 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.594 -173.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.462 HD13 ' CD ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER -125.0 144.19 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.568 -179.025 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.608 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 1.2 t70 -73.18 144.71 46.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.236 176.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.74 -13.13 29.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.79 0.328 . . . . 0.0 111.871 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 m -70.62 -58.89 3.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.898 0.38 . . . . 0.0 111.069 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -126.01 7.82 7.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.625 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.608 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 61.9 tttm 64.33 55.75 1.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.679 0.752 . . . . 0.0 110.282 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -84.8 130.22 34.7 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.443 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.6 mt -72.48 93.5 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 177.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.9 mt -76.09 -58.37 4.61 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.986 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.1 139.89 11.32 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.87 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -145.71 109.91 4.95 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.866 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -147.28 171.64 15.1 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 -177.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -67.08 159.66 28.32 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.415 ' CG2' ' HA ' ' A' ' 71' ' ' LYS . 12.5 tt -65.35 -19.24 25.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.582 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -63.73 -17.53 63.11 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.294 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -68.25 -26.16 65.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.04 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.0 mt -91.93 117.44 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.718 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.6 t -92.46 -25.41 18.45 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.833 -177.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 25.9 t -152.04 150.48 30.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.923 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -139.07 115.8 10.73 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.29 150.83 51.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.018 0.437 . . . . 0.0 111.059 -178.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.415 HE21 ' HB2' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -115.46 159.51 21.09 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 177.33 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 10.1 t70 -71.97 124.45 90.89 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.897 0.379 . . . . 0.0 111.815 -176.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 23.2 Cg_exo -65.87 -34.71 38.4 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.954 2.436 . . . . 0.0 113.745 -178.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -94.07 -17.57 22.71 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.848 0.356 . . . . 0.0 111.64 -176.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -133.55 107.33 7.94 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.218 0.533 . . . . 0.0 110.161 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.414 HD12 HE22 ' A' ' 97' ' ' GLN . 4.0 mm? -78.12 7.59 6.01 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.335 -176.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.1 t -110.88 14.07 22.14 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.021 -178.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.9 t -145.43 156.75 43.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.827 0.346 . . . . 0.0 110.633 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -154.82 171.61 19.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.61 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -155.32 129.7 9.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.701 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -115.71 157.75 23.82 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.162 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 63.3 mt -113.7 125.85 71.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.626 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.89 152.12 22.32 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.744 177.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.34 93.13 4.8 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.54 0.685 . . . . 0.0 111.949 -179.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.568 ' OD2' ' HB2' ' A' ' 114' ' ' SER . 8.0 p-10 -84.93 81.98 8.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.195 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.7 tp -70.84 -5.39 30.07 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.153 0.501 . . . . 0.0 110.593 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -93.29 -8.22 42.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.18 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.568 ' HB2' ' OD2' ' A' ' 111' ' ' ASP . 45.0 m -128.0 -32.16 2.32 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.329 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 16.6 m120 74.06 15.68 3.69 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 175.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -130.1 98.19 4.67 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 176.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.457 ' HA ' ' OD1' ' A' ' 111' ' ' ASP . 34.5 m80 -63.79 130.88 45.99 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -171.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.439 ' CE1' HD13 ' A' ' 30' ' ' LEU . 83.8 m-85 -94.21 150.53 20.22 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.321 -1.309 . . . . 0.0 110.513 177.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' A' ' 31' ' ' ILE . 26.6 p -117.46 113.25 21.77 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 171.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -94.99 104.5 16.37 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -176.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.435 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.3 p -99.1 131.69 45.88 Favored 'Isoleucine or valine' 0 C--O 1.254 1.313 0 CA-C-O 121.3 0.571 . . . . 0.0 111.146 -178.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -132.96 133.41 43.15 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.714 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.6 t -107.76 135.44 49.17 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.415 ' HB3' ' HB1' ' A' ' 130' ' ' ALA . . . -100.4 151.87 21.02 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.406 -178.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -86.01 11.67 11.09 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.473 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -156.82 135.89 11.91 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.78 -53.12 45.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.634 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -61.77 -39.64 92.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.653 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.03 -48.52 79.82 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.733 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.415 ' HB1' ' HB3' ' A' ' 124' ' ' ALA . . . -61.47 -43.96 97.94 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 178.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.98 94.12 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.786 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -60.02 -42.99 95.53 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.107 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.83 -54.37 30.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.575 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 40.9 mm -59.3 -45.57 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.3 tt -60.29 -45.61 92.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.803 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.2 m -65.48 -41.79 92.93 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.454 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.03 -49.01 79.12 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.253 177.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.18 -44.23 97.6 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.284 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -61.35 -50.45 72.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.911 0.386 . . . . 0.0 110.427 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.02 98.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.177 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -70.18 -25.74 63.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.619 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -76.6 -53.64 7.77 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.551 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 12.8 p -66.51 -27.68 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.412 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.7 0.286 . . . . 0.0 111.477 179.773 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 120.894 0.378 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.57 -42.66 10.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.837 177.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.3 mt 52.68 44.74 29.82 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.676 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.2 mt -55.92 -29.26 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.519 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.91 4.21 10.98 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.167 0.508 . . . . 0.0 110.622 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -112.52 -3.68 14.35 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.391 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.8 p -145.67 159.06 43.7 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.216 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.583 ' SG ' HG12 ' A' ' 68' ' ' VAL . 30.2 p -124.58 140.96 52.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.91 0.386 . . . . 0.0 110.34 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -124.93 116.93 22.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.872 -177.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -132.23 166.51 21.7 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.062 0.458 . . . . 0.0 111.684 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -101.08 108.52 20.24 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.58 177.96 4.7 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.421 ' CB ' HG23 ' A' ' 61' ' ' VAL . . . -123.38 123.64 41.14 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 176.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -72.71 102.53 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.649 0.261 . . . . 0.0 110.373 -176.555 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.412 ' HA ' HG22 ' A' ' 61' ' ' VAL . 31.1 tp -78.32 -58.93 3.0 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.415 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.46 155.09 21.64 Favored Glycine 0 N--CA 1.438 -1.206 0 C-N-CA 119.031 -1.557 . . . . 0.0 113.937 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.414 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 8.7 p -110.35 95.8 5.8 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 175.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 tpp -88.25 127.53 35.46 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.021 0.439 . . . . 0.0 111.939 -174.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.412 HD23 ' CE1' ' A' ' 118' ' ' TYR . 3.1 tm? -81.86 123.69 29.04 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.586 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.8 mm -108.73 127.52 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.53 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -67.57 -60.77 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.5 127.62 53.21 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.41 HD11 ' H ' ' A' ' 36' ' ' GLY . 2.8 tm? -77.98 110.94 13.34 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.52 -176.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -107.2 28.33 8.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.241 0.543 . . . . 0.0 110.642 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.41 ' H ' HD11 ' A' ' 34' ' ' LEU . . . 87.88 -144.18 18.66 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.816 177.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.3 p -69.69 -12.46 61.65 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 122.613 0.365 . . . . 0.0 111.618 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -60.35 -43.51 96.43 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -62.8 -41.64 99.37 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.058 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.9 p -70.44 -41.78 72.41 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.766 0.317 . . . . 0.0 111.217 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -65.4 -42.52 92.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.781 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.69 -49.4 76.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.548 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.6 -46.72 89.21 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.897 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.83 -60.32 3.98 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.57 -50.74 71.03 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -59.52 -51.51 69.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.222 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.429 ' HE2' ' CG1' ' A' ' 121' ' ' VAL . 20.6 ttp -70.92 -40.78 71.89 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -176.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -63.41 -36.73 84.7 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.77 -29.88 58.93 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 121.057 0.456 . . . . 0.0 110.291 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -77.16 -20.77 55.03 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.203 0.525 . . . . 0.0 110.367 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.6 t -79.48 -11.52 59.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.406 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.32 178.93 6.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.883 0.373 . . . . 0.0 111.696 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -129.38 -123.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.4 t -86.3 10.18 15.61 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -81.51 177.61 8.84 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.399 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -83.05 -157.63 0.24 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.415 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -66.92 80.23 0.11 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.608 0.718 . . . . 0.0 111.275 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.1 ttp -94.25 25.84 3.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.972 0.891 . . . . 0.0 109.571 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -79.75 79.51 6.25 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.506 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -133.4 118.0 17.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.421 HG23 ' CB ' ' A' ' 24' ' ' ALA . 2.8 m -131.61 164.02 45.66 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.554 -177.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 4.0 Cg_endo -46.26 137.74 13.87 Favored 'Trans proline' 0 C--N 1.366 1.498 0 C-N-CA 124.018 3.145 . . . . 0.0 113.568 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.0 m -79.74 135.22 36.46 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.969 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -134.0 133.97 55.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 C-N-CA 123.857 0.863 . . . . 0.0 108.887 179.363 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.8 mt -77.58 107.43 9.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-O 121.318 0.58 . . . . 0.0 110.003 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.71 103.48 15.99 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.01 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 t -111.51 116.6 31.14 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 121.28 0.562 . . . . 0.0 110.012 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.583 HG12 ' SG ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -119.75 129.03 75.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.8 -177.492 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.5 t -131.61 160.55 35.02 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.637 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.82 -11.32 60.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.139 0.495 . . . . 0.0 110.903 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -101.29 -11.07 19.75 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.706 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.429 ' HA2' ' N ' ' A' ' 89' ' ' ILE . . . 159.59 162.01 11.78 Favored Glycine 0 CA--C 1.5 -0.848 0 C-N-CA 119.746 -1.216 . . . . 0.0 112.684 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.3 t -119.76 133.2 67.29 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.132 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.1 137.17 52.95 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 121.493 0.663 . . . . 0.0 111.694 -178.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.491 ' O ' ' HB ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -114.17 115.71 27.91 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.229 -178.605 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.465 ' O ' HG12 ' A' ' 64' ' ' ILE . 4.4 mp -122.57 138.64 52.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 20.3 t70 -70.08 140.99 52.84 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.83 -20.76 28.66 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.0 m -89.34 -54.56 4.04 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 120.87 0.366 . . . . 0.0 111.593 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -103.58 8.23 37.62 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.562 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 14.0 ptmm? 49.78 27.06 2.11 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.906 0.882 . . . . 0.0 111.251 -177.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -61.23 124.67 21.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.519 -178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.401 HG21 ' O ' ' A' ' 83' ' ' ILE . 7.3 tp -75.7 82.52 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-O 121.913 0.863 . . . . 0.0 109.301 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.491 ' HB ' ' O ' ' A' ' 75' ' ' PHE . 67.8 mt -56.72 -58.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.07 -177.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -174.12 145.54 1.07 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -121.75 108.11 13.13 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 174.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -120.21 144.22 47.84 Favored 'General case' 0 C--N 1.308 -1.202 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.145 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -59.87 144.96 47.38 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.944 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.457 HD13 ' O ' ' A' ' 89' ' ' ILE . 0.3 OUTLIER -63.48 -24.1 35.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.451 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -67.99 -12.89 61.63 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.028 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -89.76 -14.69 34.04 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.295 0.569 . . . . 0.0 110.135 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.5 mt -85.58 132.61 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.3 t -98.6 -43.47 6.83 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.665 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.421 ' HB2' HG12 ' A' ' 108' ' ' ILE . 50.5 m -152.78 155.21 36.72 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.368 -178.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.11 116.17 15.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.398 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -123.1 179.1 4.8 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.613 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -145.34 170.32 16.54 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -70.08 134.84 87.33 Favored Pre-proline 0 C--N 1.319 -0.738 0 O-C-N 123.144 0.278 . . . . 0.0 110.283 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.28 -34.1 87.19 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.318 2.678 . . . . 0.0 114.044 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -114.22 -21.98 10.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -109.23 95.98 5.99 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.9 11.77 3.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.383 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.5 t -107.11 8.05 29.98 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-O 121.752 0.787 . . . . 0.0 108.903 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.1 m -127.17 120.64 29.28 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.864 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 122' ' ' PHE . 36.4 p90 -118.36 141.04 48.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.949 0.404 . . . . 0.0 111.523 -177.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -137.07 116.2 12.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.275 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -116.98 151.55 36.47 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 121.042 0.449 . . . . 0.0 111.492 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.421 HG12 ' HB2' ' A' ' 94' ' ' CYS . 0.0 OUTLIER -107.52 133.94 50.76 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.95 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.935 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.0 p -118.96 165.59 13.9 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.6 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -101.42 85.79 2.85 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 173.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.54 94.75 1.73 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.723 -177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.6 mt -58.16 -36.77 73.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.297 -1.319 . . . . 0.0 113.05 -174.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -75.82 -15.25 60.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.943 0.402 . . . . 0.0 111.442 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.1 m -103.72 -19.32 14.35 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.573 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 61.47 23.24 13.53 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.62 0.724 . . . . 0.0 109.942 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -140.05 -169.48 2.75 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.707 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -127.14 123.64 37.25 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.184 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.412 ' CE1' HD23 ' A' ' 30' ' ' LEU . 34.7 m-85 -100.81 126.74 47.41 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.705 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 90.4 m -83.28 102.75 12.16 Favored 'General case' 0 N--CA 1.433 -1.323 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -89.29 104.64 17.17 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.429 ' CG1' ' HE2' ' A' ' 47' ' ' MET . 3.3 p -112.93 128.85 69.45 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.415 -177.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 43.4 m-85 -126.67 148.39 49.84 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.446 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 66.6 p -104.86 123.51 47.83 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.39 168.72 16.32 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.239 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -102.26 11.62 37.9 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -162.6 140.43 8.35 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.425 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.84 -51.69 63.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.561 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -58.5 -40.07 81.8 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.961 0.41 . . . . 0.0 110.089 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.7 tt -56.53 -53.0 62.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.025 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.47 -46.76 87.02 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.22 83.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.999 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -64.03 -44.53 92.27 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.008 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.0 mt -58.43 -46.78 89.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.37 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 31.4 mm -55.73 -48.41 77.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.058 0.456 . . . . 0.0 110.482 177.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.74 -43.83 92.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.621 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.4 m -63.16 -41.51 99.26 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.372 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 85.8 mt -63.8 -50.29 69.53 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.016 0.436 . . . . 0.0 110.379 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.2 -46.3 94.5 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.317 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -61.76 -42.96 99.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 0.0 110.61 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.43 -47.61 84.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.993 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -67.1 -36.86 82.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.595 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.67 -47.92 76.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.5 p -72.06 -26.4 25.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.266 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -83.17 -19.65 36.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.043 0.449 . . . . 0.0 110.589 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -65.83 -45.5 82.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.42 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 . . . . . 0 C--N 1.321 -0.658 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.036 179.059 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.705 0.288 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.51 166.84 17.21 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.795 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mp -83.84 122.47 28.73 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.479 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.4 pt -66.64 -2.81 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-O 120.998 0.428 . . . . 0.0 112.055 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.83 -28.61 20.3 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -98.03 -12.97 21.33 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.498 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.5 p -123.45 139.05 54.42 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.902 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.7 t -115.71 108.52 16.47 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -92.66 104.85 17.09 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.618 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -112.79 172.34 6.99 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.394 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -116.84 112.6 21.33 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.02 177.6 4.76 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.427 ' HB2' ' OG1' ' A' ' 123' ' ' THR . . . -117.44 131.13 56.8 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.443 178.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -72.86 98.4 2.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.388 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.4 tp -78.4 -62.19 1.76 Allowed 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.21 152.78 12.48 Favored Glycine 0 N--CA 1.439 -1.144 0 C-N-CA 118.782 -1.675 . . . . 0.0 114.14 176.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p -104.11 112.54 25.58 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 173.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.2 tpp -104.64 139.24 39.78 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -173.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -82.36 116.9 22.05 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.6 mm -96.39 114.6 33.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-O 121.103 0.477 . . . . 0.0 111.245 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.463 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 30.2 mtmm -90.36 -50.08 6.17 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -93.08 97.86 10.96 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.353 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -78.41 98.06 5.88 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ptm85 -122.87 36.52 4.63 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.958 -178.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.59 -131.56 31.94 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.052 -0.976 . . . . 0.0 113.27 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.5 p -67.54 -12.97 61.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.95 0.405 . . . . 0.0 111.741 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -71.57 -36.95 71.07 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 178.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.4 m -65.88 -43.09 89.36 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.111 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.496 HG23 ' SG ' ' A' ' 119' ' ' CYS . 24.1 p -66.13 -36.25 82.64 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.255 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -66.88 -42.57 85.36 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.839 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.41 -49.86 76.17 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.812 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.68 -49.27 73.82 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.35 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.4 t -61.1 -48.55 81.14 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.839 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.03 -44.77 94.41 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 120.929 0.395 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -56.1 -51.73 66.86 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.969 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 61.7 mtm -79.53 -31.33 42.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 -63.29 -28.4 69.99 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.32 -39.97 14.88 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.573 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -67.41 -36.16 80.73 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -177.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.5 p -57.67 -45.3 85.73 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.863 0.364 . . . . 0.0 111.406 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -81.89 -6.56 59.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.292 0.568 . . . . 0.0 111.345 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.2 tttm -89.95 -45.11 9.43 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.99 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 t -110.75 47.12 1.0 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.327 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 m -69.96 -17.51 63.31 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.381 0.61 . . . . 0.0 110.333 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -62.41 -47.17 85.31 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 175.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -72.36 -56.52 5.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.742 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 28.5 ttp -70.59 107.28 3.82 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.918 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -50.83 24.24 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 174.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt 178.46 137.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.299 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.421 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 9.5 m -63.41 132.87 95.28 Favored Pre-proline 0 C--N 1.317 -0.847 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 61' ' ' VAL . 35.1 Cg_exo -60.54 149.8 84.95 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.064 2.509 . . . . 0.0 113.007 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.9 m -85.06 135.38 34.03 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.677 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.9 OUTLIER -123.7 133.03 70.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.782 178.681 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.1 mt -79.22 106.55 10.43 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 CA-C-O 121.468 0.651 . . . . 0.0 109.283 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.42 94.19 9.78 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.571 -178.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.2 p -96.21 94.6 7.59 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.271 0.558 . . . . 0.0 110.267 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.9 p -96.31 122.46 47.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.318 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.8 t -132.85 151.46 52.02 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.165 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.45 -19.62 66.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.414 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -98.58 0.37 44.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.233 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.51 144.84 4.01 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.837 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.4 t -110.67 122.75 65.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 121.252 0.548 . . . . 0.0 110.897 -178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -108.54 133.62 52.43 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.873 -178.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.479 ' HB3' HD11 ' A' ' 64' ' ' ILE . 25.7 m-85 -116.3 101.44 8.68 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.255 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.3 mt -114.55 139.76 38.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.381 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.692 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 3.4 t70 -74.99 144.29 43.2 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.365 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.15 -12.87 22.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 m -69.61 -54.75 12.49 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -123.5 3.78 9.02 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.382 0.611 . . . . 0.0 109.944 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.692 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 3.9 ttmp? 64.56 29.16 13.24 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.028 -178.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -77.45 140.66 39.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.861 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.6 tp -75.1 112.7 12.94 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-O 121.183 0.516 . . . . 0.0 110.654 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.7 mm -71.66 -55.82 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -179.48 161.15 1.03 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.678 -1.146 . . . . 0.0 109.798 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -141.48 119.39 11.9 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -116.78 141.53 48.09 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.796 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -71.65 146.78 48.06 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 173.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.9 tp -54.27 -33.16 24.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 120.859 0.361 . . . . 0.0 111.525 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -63.12 -25.82 68.54 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.2 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -81.68 -21.69 37.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.916 0.389 . . . . 0.0 110.712 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.5 mt -79.66 113.45 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.1 m -90.34 -38.67 13.2 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.866 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 30.3 t -138.68 151.48 47.22 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.874 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.7 101.81 4.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.401 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -114.89 -175.49 2.7 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 120.969 0.414 . . . . 0.0 111.117 -177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -153.35 171.64 18.29 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.281 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.42 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 12.3 t70 -71.73 133.29 84.56 Favored Pre-proline 0 C--N 1.318 -0.773 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.533 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 39.7 Cg_exo -59.38 -36.29 94.48 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.157 2.572 . . . . 0.0 113.528 -179.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -103.71 -26.17 12.85 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.976 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -113.49 104.64 12.47 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.179 0.514 . . . . 0.0 110.68 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.07 15.85 2.63 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.44 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.9 t -105.64 -0.47 25.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.914 0.387 . . . . 0.0 110.349 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.0 t -130.87 134.65 46.98 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 121.23 0.538 . . . . 0.0 110.773 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 41.0 p90 -122.17 150.94 41.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.137 -176.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.02 114.9 9.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.34 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.43 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 38.2 p90 -107.38 159.27 16.52 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 120.907 0.384 . . . . 0.0 111.191 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.6 mt -116.67 122.2 69.38 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.5 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.9 p -128.15 174.96 8.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.984 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -148.93 116.57 6.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.037 0.446 . . . . 0.0 111.324 178.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -86.06 170.18 12.47 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.796 176.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.2 tp -68.92 -21.84 64.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.87 0.367 . . . . 0.0 111.164 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -102.19 10.7 39.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.123 0.487 . . . . 0.0 110.391 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.6 m -103.22 78.53 1.64 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.233 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -58.99 -37.68 77.42 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 175.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.463 ' CD2' ' HA ' ' A' ' 32' ' ' LYS . 8.0 m80 -98.09 147.13 24.86 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.608 173.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -76.85 143.57 39.61 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 120.726 0.298 . . . . 0.0 111.05 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -108.39 115.79 30.77 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.968 0.413 . . . . 0.0 110.798 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.496 ' SG ' HG23 ' A' ' 40' ' ' THR . 52.6 t -86.6 118.71 26.19 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 72.6 m80 -106.18 106.54 17.1 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.862 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.1 p -109.98 130.09 63.76 Favored 'Isoleucine or valine' 0 C--O 1.255 1.387 0 CA-C-O 121.225 0.536 . . . . 0.0 111.04 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -128.81 138.58 52.14 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.023 -178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.427 ' OG1' ' HB2' ' A' ' 24' ' ' ALA . 36.0 p -95.61 121.27 37.13 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.179 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.416 ' HB1' HD23 ' A' ' 129' ' ' LEU . . . -85.05 154.06 22.32 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -84.32 -4.17 58.7 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.04 0.448 . . . . 0.0 110.513 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -146.02 137.11 24.59 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.841 -178.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.7 -54.72 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.868 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.67 -32.94 72.12 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.038 0.447 . . . . 0.0 110.632 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.416 HD23 ' HB1' ' A' ' 124' ' ' ALA . 9.4 tt -59.92 -51.71 68.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.527 177.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.72 -39.51 94.28 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.75 90.9 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.124 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.74 -35.4 80.02 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.601 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 64.6 mt -56.79 -46.73 83.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 49.2 mm -61.31 -45.06 99.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.413 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.1 -43.43 98.86 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.602 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 27.1 m -63.85 -39.26 93.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.324 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.11 -43.69 94.53 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.961 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.75 -50.0 71.82 Favored Glycine 0 C--O 1.245 0.812 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -58.37 -42.45 87.01 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.94 99.49 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -58.33 -50.25 74.31 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.716 0.293 . . . . 0.0 111.119 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.589 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 11.8 pt-20 -72.91 -44.59 61.05 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -177.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.16 -32.81 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 120.748 0.308 . . . . 0.0 111.606 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -74.39 -21.38 59.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.03 0.443 . . . . 0.0 110.551 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -91.41 -19.0 23.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.84 -178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . 0.589 ' HG3' ' O ' ' A' ' 142' ' ' GLU . 97.3 mt-30 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.726 -0.654 . . . . 0.0 110.241 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 120.688 0.28 . . . . 0.0 110.374 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' CB ' ' HG3' ' A' ' 17' ' ' GLN . 0.7 OUTLIER -91.22 137.58 32.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.955 0.407 . . . . 0.0 110.825 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.51 ' HG ' ' H ' ' A' ' 15' ' ' ILE . 1.4 pt? -127.02 -61.8 1.15 Allowed 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.213 177.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.51 ' H ' ' HG ' ' A' ' 14' ' ' LEU . 11.9 tt -72.54 -19.46 19.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 121.28 0.562 . . . . 0.0 110.519 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.15 -29.54 24.7 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.423 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' HG3' ' CB ' ' A' ' 13' ' ' LYS . 36.7 mt-30 -89.67 -18.88 25.6 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.535 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.5 p -75.92 105.82 7.16 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.166 0.508 . . . . 0.0 109.893 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.5 m -109.86 134.27 52.24 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.152 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -116.12 115.42 26.03 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.407 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -125.05 134.2 52.63 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.407 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -90.94 120.24 31.78 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.039 0.447 . . . . 0.0 110.872 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.8 165.91 15.83 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.15 125.93 50.08 Favored 'General case' 0 C--N 1.308 -1.226 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.128 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.467 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.6 OUTLIER -71.55 93.51 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.361 -177.778 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.419 ' HA ' HG11 ' A' ' 61' ' ' VAL . 38.0 tp -72.43 -59.78 2.56 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.366 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -174.43 171.53 44.64 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 119.599 -1.286 . . . . 0.0 112.983 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.486 ' C ' ' HE2' ' A' ' 29' ' ' MET . 25.5 p -131.4 102.12 5.82 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.486 ' HE2' ' C ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -84.86 156.16 21.41 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.946 0.403 . . . . 0.0 110.617 -179.045 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.476 HD13 ' CE1' ' A' ' 118' ' ' TYR . 18.6 tp -107.52 110.63 22.59 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 mm -116.3 118.53 59.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.668 -173.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.58 -38.51 10.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.2 177.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -94.52 55.6 1.98 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.834 177.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.516 HD23 ' H ' ' A' ' 34' ' ' LEU . 1.6 pt? -69.35 132.34 46.25 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.567 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.9 mtm-85 -123.08 37.06 4.51 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.388 0.613 . . . . 0.0 109.839 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.11 -124.64 6.63 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.678 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 30.1 p -67.44 -14.16 62.68 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.382 0.61 . . . . 0.0 111.498 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -65.02 -45.27 86.19 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.718 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.445 ' OG ' ' HA ' ' A' ' 34' ' ' LEU . 14.2 m -67.56 -40.18 84.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.218 -177.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.403 ' HB ' ' HB3' ' A' ' 106' ' ' ALA . 25.1 p -65.26 -44.89 86.65 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.454 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -67.29 -39.98 86.02 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.304 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -56.66 -57.14 13.68 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.815 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.419 ' HB2' ' SD ' ' A' ' 29' ' ' MET . . . -63.33 -41.45 98.89 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.0 t -56.05 -62.45 1.69 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.14 86.18 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.655 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -55.62 -56.65 17.9 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.632 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.42 ' HE1' ' SD ' ' A' ' 29' ' ' MET . 58.9 mtm -77.62 -25.18 49.58 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.511 -0.475 . . . . 0.0 111.974 -179.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -64.32 -30.83 71.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.265 0.555 . . . . 0.0 109.696 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.75 -27.61 21.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.469 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -76.13 -37.36 58.12 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.136 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.7 p -60.32 -39.94 88.82 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.847 0.356 . . . . 0.0 111.33 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -80.23 86.07 5.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.701 0.762 . . . . 0.0 109.7 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -115.38 154.56 28.98 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.616 -176.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.4 p -66.89 -24.09 66.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.187 0.517 . . . . 0.0 110.003 177.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.5 m -75.67 105.47 6.72 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.432 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -78.94 5.27 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.175 0.512 . . . . 0.0 111.389 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -82.57 -0.48 47.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.235 0.54 . . . . 0.0 109.7 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.2 tpp -61.91 148.62 42.97 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.792 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -97.58 152.47 19.0 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.345 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -86.02 161.48 18.94 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.992 0.425 . . . . 0.0 110.172 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.419 HG11 ' HA ' ' A' ' 26' ' ' LEU . 15.8 m -88.73 145.57 35.28 Favored Pre-proline 0 C--N 1.305 -1.358 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.08 -178.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -81.76 155.38 18.0 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.7 m -89.32 134.01 34.24 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.478 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.405 HD12 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -126.43 131.44 71.39 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.912 -178.791 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.1 mp -84.95 111.46 20.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 76.6 mt -86.59 97.23 10.42 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.002 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.1 m -90.44 92.55 8.93 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 p -99.2 126.06 52.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.309 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.5 m -132.37 153.34 50.86 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.216 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.86 -17.09 48.16 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -177.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -102.7 -12.74 17.44 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 170.93 164.43 26.63 Favored Glycine 0 CA--C 1.509 -0.339 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.084 -177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.8 t -126.91 135.79 62.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 120.994 0.426 . . . . 0.0 111.189 -178.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -118.55 136.11 54.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.117 178.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.405 ' HB3' HD12 ' A' ' 64' ' ' ILE . 5.0 m-85 -116.6 107.19 14.41 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.7 mp -117.2 142.61 30.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 CA-C-O 120.669 0.271 . . . . 0.0 110.515 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.673 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 2.3 t70 -79.6 145.94 32.81 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.596 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.28 -17.69 22.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.833 0.349 . . . . 0.0 111.552 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -75.06 -57.8 3.68 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.491 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -111.3 -8.02 14.37 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.794 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.673 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 14.0 mmmm 71.69 29.42 2.56 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.315 -177.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -66.3 129.2 39.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.043 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.0 tp -76.25 88.17 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 CA-C-O 121.966 0.888 . . . . 0.0 108.702 175.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.7 mt -60.86 -57.18 13.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.015 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.89 160.74 31.33 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 119.722 -0.791 . . . . 0.0 112.643 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -141.3 134.54 29.46 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.953 -1.021 . . . . 0.0 108.716 175.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.57 154.92 29.32 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.329 178.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -66.33 141.09 58.1 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.564 HD11 ' O ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.05 -27.99 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 CA-C-O 120.849 0.356 . . . . 0.0 111.473 -176.123 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -7.5 34.44 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.435 ' ND2' HG21 ' A' ' 109' ' ' THR . 0.1 OUTLIER -84.61 -13.6 51.15 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.962 0.41 . . . . 0.0 110.446 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.9 mt -82.51 105.17 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.8 t -72.9 -40.21 65.74 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.085 -175.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.4 t -151.54 152.09 32.46 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.383 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.78 124.5 26.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.566 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -141.84 172.92 12.02 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.831 0.348 . . . . 0.0 111.297 -178.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.483 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 18.8 pt20 -141.46 168.78 18.94 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.265 178.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -70.37 136.6 86.39 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.756 -178.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -63.06 -39.53 39.21 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.913 2.408 . . . . 0.0 113.674 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -99.07 -33.54 10.76 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.816 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -104.79 106.17 16.55 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.295 0.569 . . . . 0.0 109.989 177.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -84.33 13.9 4.91 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.427 -176.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.1 t -109.59 -1.41 18.19 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.892 0.377 . . . . 0.0 110.271 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.7 m -119.48 133.44 55.69 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.223 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.483 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 40.7 p90 -134.88 158.24 44.76 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.859 0.362 . . . . 0.0 110.835 -178.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.403 ' HB3' ' HB ' ' A' ' 40' ' ' THR . . . -148.6 136.32 20.66 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.304 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -123.49 140.18 53.26 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-O 121.297 0.57 . . . . 0.0 111.24 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.3 mt -93.38 119.16 40.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.846 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.435 HG21 ' ND2' ' A' ' 91' ' ' ASN . 0.2 OUTLIER -113.39 139.99 48.43 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.598 -174.102 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -89.69 103.87 16.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.547 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -103.89 99.1 8.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.123 0.487 . . . . 0.0 110.93 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.6 mt -68.09 -14.47 63.0 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.823 -176.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -74.15 -28.0 61.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.721 0.296 . . . . 0.0 110.735 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 116' ' ' HIS . 10.9 t -111.49 -23.36 10.77 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.478 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.1 t30 75.48 -38.75 0.37 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.929 0.892 . . . . 0.0 111.065 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.406 ' H ' ' C ' ' A' ' 114' ' ' SER . 3.5 t-160 -73.71 128.43 35.49 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.02 129.85 42.16 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -177.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.476 ' CE1' HD13 ' A' ' 30' ' ' LEU . 67.5 m-85 -102.74 145.49 29.64 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.513 177.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 43.7 t -120.49 105.64 11.04 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 176.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -96.15 109.68 22.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.395 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.7 p -106.95 127.04 62.89 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.578 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 18.0 m-85 -124.59 148.8 47.64 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.155 -178.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 32.9 p -102.55 120.11 39.97 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.869 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.2 150.97 27.1 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -85.27 8.89 16.88 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 120.736 0.303 . . . . 0.0 110.409 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.4 ' OD2' ' HB3' ' A' ' 128' ' ' ASN . 21.0 t70 -166.85 142.57 4.36 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.743 -178.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 89.4 t -62.8 -48.39 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.533 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.4 ' HB3' ' OD2' ' A' ' 126' ' ' ASP . 7.9 t30 -60.87 -42.33 97.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.107 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -56.58 -47.07 80.35 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.836 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.8 -44.24 97.11 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.735 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.8 96.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.798 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -58.87 -46.73 87.12 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.327 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 55.1 mt -58.11 -53.59 43.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.062 178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.409 HD11 ' HB2' ' A' ' 105' ' ' PHE . 45.8 mm -57.84 -44.62 86.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.33 -49.06 79.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.694 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 23.6 m -65.54 -43.84 88.71 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.251 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.08 -48.05 83.34 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.853 0.358 . . . . 0.0 110.517 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.28 -45.13 96.61 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.249 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.608 HE21 ' HA ' ' A' ' 139' ' ' GLN . 0.0 OUTLIER -63.26 -43.61 97.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.656 0.265 . . . . 0.0 110.665 179.23 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.96 -43.92 97.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.755 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -66.9 -37.42 84.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.236 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.99 -53.58 53.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.73 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.0 p -67.93 -25.54 32.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.944 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -71.67 -40.12 69.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.29 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -69.37 -23.78 63.79 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.169 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.867 178.051 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 121.077 0.465 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -141.61 83.24 1.85 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.721 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.548 ' H ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.37 -23.11 61.84 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -177.009 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.473 ' N ' HD23 ' A' ' 14' ' ' LEU . 9.5 tp -56.94 -27.32 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -178.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.82 73.11 2.29 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 120.921 0.391 . . . . 0.0 111.792 -178.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 56.98 25.87 11.16 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.091 174.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.1 m -130.87 178.36 6.72 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.574 -177.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.494 ' HB2' HG11 ' A' ' 68' ' ' VAL . 99.0 m -152.35 107.64 3.28 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.422 176.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -101.89 120.66 40.75 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.213 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.453 ' HB3' HD23 ' A' ' 129' ' ' LEU . 75.8 m-85 -135.34 148.39 49.43 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.675 0.274 . . . . 0.0 111.287 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -99.42 107.91 20.25 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.829 0.347 . . . . 0.0 110.075 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.33 175.49 5.59 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.483 ' HB1' ' OG1' ' A' ' 123' ' ' THR . . . -101.69 130.57 48.09 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-O 120.752 0.31 . . . . 0.0 110.659 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.459 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 5.6 t80 -72.72 100.46 2.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.286 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.1 tp -84.25 -64.49 1.15 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.391 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.9 161.64 25.5 Favored Glycine 0 C--N 1.34 0.802 0 C-N-CA 118.919 -1.61 . . . . 0.0 113.899 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 120' ' ' HIS . 9.1 t -115.14 115.85 27.43 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 177.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -118.35 136.26 53.83 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.963 0.411 . . . . 0.0 111.344 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.2 tp -89.34 124.17 34.19 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.825 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.7 mm -97.73 136.63 27.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.819 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -75.01 -52.11 11.91 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.021 0.439 . . . . 0.0 110.003 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -122.47 103.0 8.42 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.701 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -70.78 114.05 8.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.26 -178.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -120.49 86.02 2.49 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.215 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.19 -129.6 32.3 Favored Glycine 0 C--N 1.329 0.148 0 CA-C-N 115.558 -0.746 . . . . 0.0 113.612 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -98.08 7.89 45.6 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.492 0.663 . . . . 0.0 110.441 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -73.12 -46.11 53.06 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.3 m -57.47 -42.98 83.64 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.972 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.7 p -65.51 -44.22 87.69 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.404 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -63.4 -41.51 98.76 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.81 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -54.47 -59.52 4.57 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.146 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' ' 47' ' ' MET . . . -60.5 -45.17 94.76 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.13 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.9 t -57.92 -56.37 22.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.74 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.84 -49.78 76.35 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.961 0.41 . . . . 0.0 111.681 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -65.32 -38.52 90.43 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.761 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 13.6 ttm -71.13 -44.68 65.1 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.292 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.42 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 5.4 ptp180 -64.39 -36.19 83.36 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.968 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.44 99.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.324 178.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -73.26 -30.22 63.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.706 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 38.8 t -68.87 -12.4 61.53 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 122.807 0.443 . . . . 0.0 111.856 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 13.1 pt20 -122.49 22.91 9.83 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.037 0.446 . . . . 0.0 110.423 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -138.28 98.17 3.55 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.09 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.0 t 62.18 43.93 8.18 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.407 0.622 . . . . 0.0 110.741 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 p -127.37 69.18 1.29 Allowed 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.055 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.48 -40.62 85.26 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.083 0.468 . . . . 0.0 111.086 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -76.34 -49.36 17.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.397 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.8 ttt -70.8 -16.58 62.74 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.52 -177.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -55.02 -39.86 69.55 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.772 0.32 . . . . 0.0 111.397 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -95.8 85.38 4.09 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.108 0.48 . . . . 0.0 110.382 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.418 HG23 ' HB3' ' A' ' 24' ' ' ALA . 4.0 m -80.18 130.97 63.98 Favored Pre-proline 0 C--N 1.311 -1.068 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.17 177.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.06 138.25 84.34 Favored 'Trans proline' 0 C--O 1.241 0.645 0 C-N-CA 122.943 2.429 . . . . 0.0 113.177 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.2 m -74.52 132.46 41.86 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.475 HG23 ' CE1' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -126.2 137.64 57.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.998 -177.23 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 60.4 mt -89.04 107.69 18.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.401 0.62 . . . . 0.0 110.162 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.2 mt -87.21 103.68 15.66 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.786 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.463 ' HB2' ' CG ' ' A' ' 74' ' ' LYS . 15.1 m -100.63 97.9 8.52 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-O 121.014 0.435 . . . . 0.0 109.897 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.494 HG11 ' HB2' ' A' ' 19' ' ' CYS . 2.4 p -100.75 129.13 52.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.385 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.3 p -129.29 164.85 22.62 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.72 -10.75 29.57 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -113.11 5.44 17.1 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 148.51 -176.28 27.38 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 119.637 -1.268 . . . . 0.0 112.704 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.1 m -130.5 136.13 59.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.336 0.589 . . . . 0.0 111.392 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.463 ' CG ' ' HB2' ' A' ' 67' ' ' SER . 22.6 pttp -126.08 110.31 13.39 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.59 0.71 . . . . 0.0 109.629 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.421 ' HB3' HD13 ' A' ' 64' ' ' ILE . 21.9 m-85 -94.44 106.0 17.97 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.71 -178.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.0 mt -110.89 146.57 15.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.926 -174.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.515 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 23.0 t70 -70.48 145.53 50.87 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.03 -18.08 29.73 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.3 m -97.23 -50.69 4.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.789 0.328 . . . . 0.0 111.513 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -99.06 -10.6 22.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.852 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.515 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 68.2 mttm 62.78 27.66 16.15 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.54 0.686 . . . . 0.0 110.119 -177.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -75.61 135.14 40.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.511 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.558 ' H ' HD11 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -71.75 108.82 3.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.402 0.62 . . . . 0.0 109.569 175.775 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 84.6 mt -90.61 -53.47 8.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.192 -176.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -144.7 110.96 5.54 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.092 0.472 . . . . 0.0 111.59 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -115.74 120.08 38.14 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -145.24 148.46 33.53 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.6 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.59 154.97 40.51 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.6 tt -67.65 -14.42 18.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.376 0.607 . . . . 0.0 110.52 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.8 mmm-85 -64.54 -22.93 67.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.456 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -86.13 -7.08 58.84 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.248 0.547 . . . . 0.0 110.326 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.9 mt -97.76 141.07 16.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.1 p -113.31 -34.58 5.59 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.2 t -153.38 166.61 32.12 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.941 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -143.41 112.66 6.77 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -123.66 172.67 8.64 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.144 0.497 . . . . 0.0 111.337 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 25.0 pt20 -138.14 177.01 8.2 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.99 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 15.0 t70 -89.36 130.08 45.12 Favored Pre-proline 0 C--N 1.315 -0.926 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.598 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 30.5 Cg_exo -63.01 -37.71 51.38 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.05 2.5 . . . . 0.0 114.155 -178.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -92.14 -36.91 13.05 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.674 -0.411 . . . . 0.0 111.749 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 103' ' ' SER . 17.6 t70 -115.54 94.97 4.93 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mp -76.58 18.84 0.3 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.657 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 101' ' ' ASP . 8.0 t -108.15 0.17 21.4 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.8 m -120.1 127.06 52.19 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.6 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.429 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 46.3 p90 -130.78 152.6 49.95 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.083 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.37 116.64 9.54 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.609 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 120' ' ' HIS . 50.5 p90 -94.81 148.14 22.61 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.944 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 56.9 mt -107.73 125.74 64.17 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.53 -177.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 12.8 p -117.1 151.75 36.17 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.942 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.23 81.51 1.62 Allowed 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.463 0.649 . . . . 0.0 110.478 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.75 117.67 12.56 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.653 -178.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.456 ' H ' HD22 ' A' ' 112' ' ' LEU . 2.2 pt? -58.21 -18.13 23.93 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -95.38 -22.97 17.38 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.663 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.416 ' O ' ' HB3' ' A' ' 115' ' ' ASN . 26.9 t -92.52 -23.08 19.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.416 ' HB3' ' O ' ' A' ' 114' ' ' SER . 33.2 t30 73.62 -54.73 0.68 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.205 0.602 . . . . 0.0 111.161 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -79.16 162.95 25.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.637 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -81.97 130.77 35.17 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -176.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -95.65 119.83 34.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.834 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 97.8 m -101.8 106.71 17.74 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 107' ' ' TYR . 3.2 t-160 -98.36 116.64 31.02 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.4 p -104.47 133.15 49.35 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.38 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.475 ' CE1' HG23 ' A' ' 64' ' ' ILE . 48.4 m-85 -123.8 140.27 53.15 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.569 177.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.483 ' OG1' ' HB1' ' A' ' 24' ' ' ALA . 7.4 p -98.78 114.95 27.72 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.149 178.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.26 155.85 24.65 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.78 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -91.62 7.12 43.01 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -164.11 145.49 8.69 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.528 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 92.8 t -65.74 -45.42 91.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.721 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -59.05 -40.56 85.51 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-O 121.03 0.443 . . . . 0.0 109.836 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.453 HD23 ' HB3' ' A' ' 21' ' ' TYR . 5.4 tt -58.22 -53.31 59.75 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.689 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.86 91.8 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.184 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.37 -42.58 91.95 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.385 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -60.15 -48.25 82.49 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.5 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.7 mt -57.19 -45.65 84.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.462 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 41.1 mm -60.23 -41.23 86.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 CA-C-O 120.983 0.42 . . . . 0.0 110.482 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.4 tt -63.33 -51.12 67.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.179 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 24.8 m -58.08 -50.74 72.43 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.323 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 81.9 mt -57.62 -48.79 78.46 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.742 0.306 . . . . 0.0 111.434 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.6 -48.21 87.35 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.051 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -69.46 -35.57 75.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.692 0.282 . . . . 0.0 111.223 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.404 ' O ' HG12 ' A' ' 143' ' ' VAL . . . -66.86 -40.55 87.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.862 0.363 . . . . 0.0 110.74 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -71.43 -32.2 68.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.227 0.537 . . . . 0.0 109.913 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.24 -44.28 79.83 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.149 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 140' ' ' ALA . 7.3 p -67.76 -23.29 29.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.252 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -77.81 -20.84 52.5 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.206 177.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -83.62 -31.4 26.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.014 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.466 -0.778 . . . . 0.0 110.86 -179.823 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -134.33 117.15 16.06 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.025 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mp -92.53 12.78 21.83 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.962 -178.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.6 tp -60.8 -17.33 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.76 -11.09 19.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.088 0.47 . . . . 0.0 111.196 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -118.82 -0.26 11.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.429 0.633 . . . . 0.0 110.608 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.494 ' HB3' ' HB2' ' A' ' 69' ' ' SER . 68.7 p -163.87 158.28 19.73 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.04 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.627 ' SG ' HG12 ' A' ' 68' ' ' VAL . 32.0 p -99.31 118.15 35.33 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.984 178.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -108.87 117.35 33.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.208 -177.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.471 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 65.4 m-85 -138.74 179.61 6.38 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -115.98 114.97 25.34 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.01 0.433 . . . . 0.0 110.403 178.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.87 170.9 7.63 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.46 ' HB3' ' OG1' ' A' ' 123' ' ' THR . . . -108.25 124.08 49.76 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.688 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.443 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 1.8 t80 -67.34 99.44 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.3 tp -84.89 -55.53 4.03 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.515 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.15 160.04 30.54 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 118.94 -1.6 . . . . 0.0 113.833 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.3 p -132.09 111.16 11.24 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -113.14 144.57 42.43 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.91 0.386 . . . . 0.0 111.006 -176.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.469 HD21 ' CD2' ' A' ' 118' ' ' TYR . 3.3 tm? -105.57 121.48 44.06 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.2 mm -96.67 131.42 43.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.718 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -49.91 75.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.536 -179.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -160.63 123.17 3.24 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.502 ' C ' HD12 ' A' ' 34' ' ' LEU . 2.2 tm? -176.56 139.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.49 ' N ' HD12 ' A' ' 34' ' ' LEU . 5.3 ptp180 -118.53 120.54 37.82 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.571 177.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.78 -159.01 14.04 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 119.889 -1.148 . . . . 0.0 114.925 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.445 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 15.2 t -79.04 -13.3 59.86 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.484 0.714 . . . . 0.0 112.84 -174.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -53.24 -33.9 54.89 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.975 0.417 . . . . 0.0 110.636 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.5 m -56.37 -48.25 77.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.858 176.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 p -68.53 -40.45 80.75 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 37' ' ' THR . 18.9 mm-40 -57.74 -49.1 77.68 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.497 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.31 -50.14 64.64 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.1 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -58.42 -52.09 67.09 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.014 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.3 t -56.62 -52.81 63.43 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.345 -178.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.98 -59.46 4.72 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -65.96 -53.41 39.37 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -176.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.509 ' HB3' ' O ' ' A' ' 43' ' ' ALA . 2.2 tmm? -65.06 -34.68 79.01 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -64.36 -47.88 77.65 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.75 -13.78 62.6 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.322 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -84.86 -46.73 11.05 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.966 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.2 t -82.84 -81.07 0.16 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.119 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -108.41 108.32 19.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.016 0.436 . . . . 0.0 111.604 -175.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.76 -11.87 0.33 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.787 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 m -58.03 -57.87 10.91 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.623 0.249 . . . . 0.0 111.533 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 95.5 m -155.72 -73.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.541 0.21 . . . . 0.0 111.433 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -99.34 170.3 8.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.761 0.315 . . . . 0.0 111.364 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -71.05 97.88 1.55 Allowed 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.8 mtt -68.91 111.82 5.19 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.957 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -82.9 106.26 14.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.665 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -159.38 26.6 0.2 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.571 0.7 . . . . 0.0 109.513 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.426 ' HB ' ' O ' ' A' ' 25' ' ' TYR . 27.5 m -110.4 150.41 41.58 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.733 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.23 144.12 67.35 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.939 2.426 . . . . 0.0 112.512 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.3 m -87.05 135.01 33.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.597 HG23 ' CE1' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -131.63 133.63 61.37 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 120.904 0.383 . . . . 0.0 110.348 -178.283 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.3 mt -77.75 111.7 14.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.478 0.656 . . . . 0.0 110.389 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.39 101.04 13.26 Favored 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.201 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 19' ' ' CYS . 46.4 t -119.47 122.56 41.98 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 121.138 0.494 . . . . 0.0 110.365 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.627 HG12 ' SG ' ' A' ' 19' ' ' CYS . 0.3 OUTLIER -125.2 130.01 73.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.248 -177.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.494 ' HB2' ' HB3' ' A' ' 18' ' ' SER . 22.2 t -121.24 158.29 28.42 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.193 177.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.81 -15.45 62.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.027 0.442 . . . . 0.0 111.051 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.5 22.86 13.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.574 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 147.42 150.06 5.11 Favored Glycine 0 CA--C 1.506 -0.479 0 C-N-CA 119.52 -1.324 . . . . 0.0 113.181 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.4 HG21 HG22 ' A' ' 68' ' ' VAL . 35.2 t -117.78 138.72 47.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.52 133.16 46.04 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.603 0.716 . . . . 0.0 111.697 -178.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.45 ' HB3' HD11 ' A' ' 64' ' ' ILE . 17.7 m-85 -119.57 103.58 9.54 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.928 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.414 ' O ' HG12 ' A' ' 64' ' ' ILE . 4.2 mp -112.91 143.7 22.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -67.61 132.7 48.04 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.28 -24.55 39.97 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.4 m -98.63 -44.24 6.52 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 120.914 0.388 . . . . 0.0 111.1 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -91.33 -13.96 31.63 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.63 -176.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt 63.31 19.13 11.5 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.257 0.551 . . . . 0.0 110.968 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -81.38 135.45 35.66 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.373 -177.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.569 ' H ' HD12 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -75.14 92.08 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 121.899 0.857 . . . . 0.0 109.721 175.652 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.7 mt -69.77 -52.08 34.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.037 -176.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -165.82 139.25 4.34 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.523 178.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -151.24 124.37 8.75 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -147.24 176.04 10.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.959 0.409 . . . . 0.0 111.303 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -69.62 150.15 47.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.687 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.9 tp -60.15 -36.15 66.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-O 120.683 0.278 . . . . 0.0 111.387 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -73.43 1.17 10.31 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -84.68 -20.79 30.67 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.9 mt -79.59 108.08 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.053 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.3 t -69.87 -39.59 76.22 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.838 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.536 ' HB2' ' CG1' ' A' ' 108' ' ' ILE . 17.1 m -150.61 149.72 30.25 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 120.79 0.328 . . . . 0.0 111.723 -178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.82 109.85 5.58 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.07 142.45 42.39 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.015 0.436 . . . . 0.0 112.049 -175.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.407 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 5.2 pm0 -92.83 143.82 25.89 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 174.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -86.72 150.04 49.8 Favored Pre-proline 0 C--N 1.304 -1.405 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -173.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.54 -36.41 34.06 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.392 2.728 . . . . 0.0 113.674 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -70.97 -20.35 62.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -157.75 114.86 2.96 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.868 0.366 . . . . 0.0 110.637 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.8 -9.86 58.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.5 p -97.03 2.6 51.61 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.42 0.629 . . . . 0.0 110.085 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 89.0 m -110.66 122.44 47.79 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.514 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 41.0 p90 -132.84 143.74 49.74 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.979 0.418 . . . . 0.0 111.213 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -130.73 139.8 50.29 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.463 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 120' ' ' HIS . 43.2 p90 -122.48 150.56 42.35 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.745 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.536 ' CG1' ' HB2' ' A' ' 94' ' ' CYS . 1.4 mm -107.8 116.61 51.63 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.9 p -115.6 160.23 20.27 Favored 'General case' 0 C--N 1.311 -1.075 0 O-C-N 123.336 0.397 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.14 76.93 1.65 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.927 0.87 . . . . 0.0 110.587 177.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.7 172.13 9.24 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.498 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.21 -12.04 60.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.34 0.591 . . . . 0.0 110.008 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.0 2.55 32.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.672 176.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.8 m -132.44 77.03 1.73 Allowed 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.549 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -71.01 -18.52 62.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.343 0.592 . . . . 0.0 109.779 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -94.07 171.78 8.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.273 175.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -82.3 106.11 13.92 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.101 0.477 . . . . 0.0 111.214 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.469 ' CD2' HD21 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -92.25 122.42 34.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.555 179.704 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 19.7 p -109.3 114.53 28.29 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.311 0.576 . . . . 0.0 110.349 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 107' ' ' TYR . 3.6 t-160 -107.33 119.24 38.86 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.336 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.472 HG11 ' CE ' ' A' ' 47' ' ' MET . 7.8 p -109.47 131.5 60.18 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 CA-C-O 121.259 0.552 . . . . 0.0 111.461 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.597 ' CE1' HG23 ' A' ' 64' ' ' ILE . 56.9 m-85 -124.19 148.32 47.35 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.594 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.46 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 22.9 p -110.95 130.98 55.42 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.405 177.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.9 162.19 14.52 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.799 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -92.7 3.3 55.86 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.222 0.534 . . . . 0.0 109.968 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -160.75 138.04 9.19 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.633 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 86.4 t -63.65 -46.12 95.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.682 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.99 -38.02 87.03 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.062 0.458 . . . . 0.0 110.317 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.7 -52.08 66.62 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.488 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.44 97.46 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.889 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.87 94.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.827 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.35 -38.57 91.5 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.257 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 67.1 mt -61.31 -47.29 94.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 25.9 mm -58.17 -45.23 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.405 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 75.4 mt -58.95 -51.42 70.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.97 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.9 m -57.48 -43.89 84.45 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.692 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.94 -46.61 88.56 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.903 0.382 . . . . 0.0 110.342 177.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.67 -49.63 76.42 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.186 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.77 -38.74 86.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.731 0.301 . . . . 0.0 110.879 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.83 92.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.352 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -74.35 -32.1 62.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.073 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.68 -47.11 76.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.53 -12.05 15.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.093 0.473 . . . . 0.0 110.629 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -71.0 -18.48 62.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -83.65 -4.74 58.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.891 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.625 -0.702 . . . . 0.0 109.724 -178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.738 0.304 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -76.34 132.11 39.58 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.084 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.5 mt -79.67 4.91 14.7 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.947 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.9 tt -57.42 -16.81 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-O 121.082 0.468 . . . . 0.0 112.137 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.81 -17.22 25.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.824 0.345 . . . . 0.0 111.082 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -115.15 -17.88 11.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.304 0.573 . . . . 0.0 110.912 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.9 p -122.25 120.68 34.82 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.126 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.8 m -74.85 111.99 10.62 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -91.09 113.43 25.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.575 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -119.1 123.2 43.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.468 0.175 . . . . 0.0 110.827 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -83.36 108.06 16.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.879 0.371 . . . . 0.0 110.363 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.77 167.14 10.59 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.498 ' HB1' ' CG2' ' A' ' 61' ' ' VAL . . . -105.16 118.41 36.48 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.519 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.473 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -70.36 107.52 3.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.069 -178.124 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.6 tp -86.33 -52.87 5.35 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.361 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.82 150.61 8.96 Favored Glycine 0 C--N 1.336 0.569 0 C-N-CA 119.444 -1.36 . . . . 0.0 113.514 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.3 p -106.12 104.47 14.18 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.545 ' HE1' ' SD ' ' A' ' 47' ' ' MET . 1.6 tpp -109.58 133.47 53.07 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 120.971 0.415 . . . . 0.0 111.216 -175.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.6 tp -84.92 117.27 23.82 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.053 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.6 mm -87.75 127.73 40.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.636 -175.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -81.08 -58.04 3.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.546 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -96.6 99.72 11.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.609 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -80.72 107.17 13.3 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.596 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -127.7 29.22 5.51 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.29 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.14 -143.69 18.93 Favored Glycine 0 C--N 1.324 -0.125 0 CA-C-N 115.862 -0.608 . . . . 0.0 113.507 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 t -67.33 -12.62 60.62 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.331 0.586 . . . . 0.0 111.344 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -66.5 -41.01 89.54 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.204 0.526 . . . . 0.0 109.716 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.0 m -64.38 -39.71 94.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.108 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.416 HG23 ' SG ' ' A' ' 119' ' ' CYS . 61.2 p -66.4 -43.9 84.52 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.519 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -62.19 -40.29 95.55 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.059 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -58.88 -53.2 61.06 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.368 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.09 -51.46 67.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.242 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.426 ' SG ' HG21 ' A' ' 104' ' ' THR . 45.6 t -54.11 -57.4 11.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.099 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.28 -29.5 69.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -60.81 -65.2 0.73 Allowed 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.167 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.545 ' SD ' ' HE1' ' A' ' 29' ' ' MET . 4.8 mpp? -66.08 -32.64 74.23 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.676 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -61.39 -47.53 85.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.735 0.302 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.78 -11.87 54.86 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -94.52 -41.19 9.48 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.889 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.513 ' SG ' ' HE3' ' A' ' 58' ' ' MET . 48.6 t -70.04 -9.65 56.03 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.833 -177.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -76.6 10.27 2.25 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.144 0.497 . . . . 0.0 110.24 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.427 ' H ' ' C ' ' A' ' 51' ' ' CYS . 53.3 tptt -52.36 -36.45 53.77 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 123.844 0.858 . . . . 0.0 110.746 178.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.9 m -133.62 144.09 49.03 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.245 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.4 m 75.23 -13.68 0.83 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.077 0.551 . . . . 0.0 112.37 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 71.07 -57.73 0.59 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.32 0.648 . . . . 0.0 110.566 -176.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -127.53 108.59 10.93 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 176.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.513 ' HE3' ' SG ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER -60.0 128.89 39.1 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.902 -178.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.38 -39.69 95.2 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.504 -177.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.05 160.05 30.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.256 0.55 . . . . 0.0 111.379 178.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.512 ' HB ' ' HD2' ' A' ' 62' ' ' PRO . 29.7 m -138.52 170.88 9.23 Favored Pre-proline 0 C--N 1.308 -1.212 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 176.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.512 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 85.5 Cg_exo -48.77 107.4 0.14 Allowed 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.442 2.095 . . . . 0.0 113.48 -177.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.2 m -76.35 127.05 32.11 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.405 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -124.96 138.51 54.0 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.328 -177.006 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.9 mt -89.73 99.82 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-O 120.994 0.426 . . . . 0.0 110.211 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.12 95.64 4.96 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.8 t -97.65 109.56 22.29 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-O 121.509 0.671 . . . . 0.0 110.182 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 p -112.42 134.29 55.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.314 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.1 t -140.1 -179.81 6.19 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.35 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.62 105.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.951 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt 68.75 4.48 4.43 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.363 -0.835 . . . . 0.0 113.238 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -137.94 136.48 8.18 Favored Glycine 0 CA--C 1.508 -0.375 0 C-N-CA 119.526 -1.321 . . . . 0.0 113.222 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.1 t -131.07 124.83 56.59 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 CA-C-O 121.4 0.619 . . . . 0.0 110.839 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -119.88 126.01 49.88 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.664 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.405 ' HB3' HD11 ' A' ' 64' ' ' ILE . 4.5 m-85 -106.35 100.05 9.6 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.184 -175.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.1 mt -107.82 144.91 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.556 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -76.1 133.53 40.26 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.507 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.03 -10.02 43.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -177.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.7 m -91.4 -45.62 8.46 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -135.04 31.44 3.26 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.696 -176.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt 44.04 44.59 6.26 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.525 0.73 . . . . 0.0 112.384 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -93.14 134.57 35.17 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.538 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.6 tp -79.33 92.46 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.677 0.751 . . . . 0.0 109.331 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.42 -57.17 8.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.289 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.61 159.82 43.21 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.436 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -154.39 113.52 3.69 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -152.71 144.38 23.5 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.475 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.45 151.56 32.31 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.9 tt -63.46 -16.0 17.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.025 0.44 . . . . 0.0 111.269 -177.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -69.51 -14.97 63.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.158 0.504 . . . . 0.0 110.396 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -80.45 -18.05 49.91 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.2 mt -88.96 126.56 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.02 177.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.3 t -98.02 -28.79 13.62 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.46 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 53.6 t -152.81 151.67 30.71 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.054 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.25 106.13 5.17 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.08 142.72 50.95 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.986 0.422 . . . . 0.0 112.025 -176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.408 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 21.3 pt20 -103.5 156.95 17.38 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.632 176.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.09 139.99 79.9 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-O 121.15 0.5 . . . . 0.0 111.916 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -68.03 -39.23 11.18 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.705 2.27 . . . . 0.0 112.737 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -83.23 -17.17 43.66 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.593 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -147.65 111.21 4.97 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.907 0.384 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.8 mp -85.66 9.56 15.87 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.5 t -100.37 8.23 43.78 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.426 HG21 ' SG ' ' A' ' 44' ' ' CYS . 15.2 m -132.01 134.98 46.19 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.51 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 43.4 p90 -141.88 152.04 43.23 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.938 0.399 . . . . 0.0 110.846 -177.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.35 124.68 16.55 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.393 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -105.46 144.39 32.29 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.116 0.484 . . . . 0.0 110.334 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.496 ' CG2' ' HB3' ' A' ' 117' ' ' HIS . 57.8 mt -109.68 125.36 66.85 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.198 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.0 p -106.14 149.4 26.81 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.875 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -98.99 69.12 1.75 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.622 0.725 . . . . 0.0 109.641 177.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -82.5 102.66 11.5 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.272 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -61.36 -23.13 65.55 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.773 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.54 -23.25 67.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.971 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.3 m -115.99 -1.36 12.53 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.605 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 67.98 -61.85 0.37 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.039 0.936 . . . . 0.0 112.138 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -74.55 170.62 15.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.025 0.441 . . . . 0.0 110.502 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.496 ' HB3' ' CG2' ' A' ' 108' ' ' ILE . 77.1 m80 -90.58 125.21 35.55 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.982 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -88.2 119.26 28.44 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.02 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.416 ' SG ' HG23 ' A' ' 40' ' ' THR . 44.9 t -92.53 110.64 22.06 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 177.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.413 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 76.9 m80 -97.6 104.32 16.34 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.2 p -97.33 128.92 48.13 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 0 CA-C-O 121.142 0.496 . . . . 0.0 111.13 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.473 ' CD2' ' HA ' ' A' ' 25' ' ' TYR . 85.8 m-85 -128.66 142.09 51.14 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.093 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.475 ' OG1' ' HB2' ' A' ' 24' ' ' ALA . 27.8 p -98.39 125.28 43.49 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.435 177.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.9 152.4 22.11 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.066 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -74.45 -22.55 59.06 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.452 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -146.65 153.43 40.3 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.851 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.61 -45.76 96.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.9 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -62.41 -35.11 78.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.537 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.33 -47.6 83.53 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.12 -45.16 94.71 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.51 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.34 -43.56 88.35 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.892 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -59.3 -46.39 88.69 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.982 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 48.4 mt -57.64 -53.12 48.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 41.7 mm -60.84 -38.39 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.88 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.7 -48.7 73.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.05 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 14.4 m -63.76 -39.48 94.38 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.543 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.29 -45.55 94.01 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.054 0.454 . . . . 0.0 109.876 175.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.51 ' HA2' ' CZ ' ' A' ' 141' ' ' PHE . . . -54.74 -47.59 70.48 Favored Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.603 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.7 -41.44 98.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.884 0.374 . . . . 0.0 110.783 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.91 -43.66 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.432 -177.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.51 ' CZ ' ' HA2' ' A' ' 138' ' ' GLY . 3.0 p90 -88.63 -19.01 26.79 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 119.173 -1.011 . . . . 0.0 111.795 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -67.42 -44.13 79.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 7.4 p -70.16 -15.78 19.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.544 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -78.9 -25.73 43.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.238 0.542 . . . . 0.0 110.134 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -98.5 -26.79 14.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.763 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.589 -0.719 . . . . 0.0 110.736 -179.381 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.6 15.31 14.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.028 0.442 . . . . 0.0 111.755 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -69.05 -14.29 62.94 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.675 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -25.4 35.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.565 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.23 -3.22 58.9 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.269 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -114.85 -13.42 11.99 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.581 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.2 p -91.28 109.43 20.7 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.732 176.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.408 ' HB2' HG13 ' A' ' 68' ' ' VAL . 72.0 m -113.26 111.99 22.97 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.004 -177.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.32 107.14 15.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.422 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -131.25 172.43 12.16 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 121.137 -0.225 . . . . 0.0 110.976 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 56.4 mttp -118.59 145.23 45.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.104 0.478 . . . . 0.0 110.809 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.09 167.2 23.29 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.227 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.466 ' HB2' HG21 ' A' ' 61' ' ' VAL . . . -95.98 115.97 28.23 Favored 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.5 119.48 14.73 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -177.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.424 ' HB3' HG13 ' A' ' 121' ' ' VAL . 25.5 tp -86.18 -50.73 6.77 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.592 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.21 156.96 13.75 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 118.901 -1.619 . . . . 0.0 114.593 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.5 m -100.98 107.21 18.62 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.686 ' HE2' ' SD ' ' A' ' 47' ' ' MET . 1.8 tpp -112.57 136.2 52.39 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.599 -175.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.9 tp -85.04 130.57 34.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.007 0.432 . . . . 0.0 110.378 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.4 mm -102.09 138.14 27.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.193 -177.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -87.77 -54.47 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.231 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -110.94 124.35 51.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.217 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -83.65 100.98 11.19 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -136.26 83.7 2.03 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.78 -176.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.58 -135.42 37.72 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-N 115.541 -0.754 . . . . 0.0 113.401 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.3 t -89.96 -0.3 57.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.906 0.384 . . . . 0.0 110.925 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.04 -42.4 99.14 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 m -62.81 -46.94 85.63 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.787 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.5 p -64.76 -34.93 79.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.758 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -73.08 -40.91 64.64 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.854 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -55.93 -50.22 71.32 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 176.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.68 -57.38 13.18 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.927 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.8 t -51.76 -56.73 12.12 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.496 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.08 -42.73 81.2 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 120.891 0.377 . . . . 0.0 111.082 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -56.98 -50.02 73.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.891 -178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.686 ' SD ' ' HE2' ' A' ' 29' ' ' MET . 4.4 mpp? -74.4 -42.87 58.51 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -23.33 67.35 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.879 -177.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.96 -42.47 5.32 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -95.95 -33.64 12.1 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -175.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.6 t -81.2 17.21 1.33 Allowed 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -174.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.422 ' C ' ' HG2' ' A' ' 58' ' ' MET . 11.8 pt20 -86.1 20.62 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.168 0.508 . . . . 0.0 110.754 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -158.25 31.45 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.092 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.5 m -113.84 86.29 2.38 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -172.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.7 m 66.91 -78.71 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 171.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -64.54 165.62 9.76 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 123.163 0.585 . . . . 0.0 111.971 -173.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -66.38 96.0 0.34 Allowed 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.422 ' HG2' ' C ' ' A' ' 52' ' ' GLN . 0.4 OUTLIER -50.89 -40.78 57.44 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 -174.562 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.47 ' CE ' ' HA ' ' A' ' 59' ' ' LYS . 0.9 OUTLIER -80.54 -5.3 56.53 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.568 -0.453 . . . . 0.0 112.126 -175.844 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.436 ' O ' HG21 ' A' ' 61' ' ' VAL . 32.0 mmmt -119.4 -49.46 2.37 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 121.069 -0.253 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER 49.04 173.25 0.02 OUTLIER Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 124.716 1.207 . . . . 0.0 112.941 -177.737 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -66.23 103.93 0.69 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 121.569 1.513 . . . . 0.0 112.204 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.4 m -69.55 116.78 10.36 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.559 HD12 ' HB3' ' A' ' 75' ' ' PHE . 1.3 tt -108.93 147.09 13.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.82 -173.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.425 ' N ' HG12 ' A' ' 64' ' ' ILE . 3.3 mp -94.09 105.99 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.416 ' CD2' HD13 ' A' ' 64' ' ' ILE . 34.3 mt -89.45 103.05 15.72 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.779 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.498 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 35.0 t -105.15 115.35 30.13 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 121.487 0.661 . . . . 0.0 110.324 178.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.408 HG13 ' HB2' ' A' ' 19' ' ' CYS . 5.3 p -120.82 138.5 51.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.135 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.6 m -140.87 -178.53 5.59 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.935 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.59 100.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.298 0.374 . . . . 0.0 111.228 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm 72.25 1.86 4.11 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.907 0.883 . . . . 0.0 112.299 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.32 142.68 17.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.369 -0.92 . . . . 0.0 113.247 -176.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.518 ' HB ' ' O ' ' A' ' 87' ' ' HIS . 52.0 t -132.53 115.78 26.24 Favored 'Isoleucine or valine' 0 C--O 1.248 1.016 0 CA-C-O 121.231 0.539 . . . . 0.0 111.033 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.498 ' O ' ' HB3' ' A' ' 67' ' ' SER . 74.8 mmtt -128.33 98.29 5.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.803 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.559 ' HB3' HD12 ' A' ' 64' ' ' ILE . 20.7 m-30 -108.99 113.63 26.68 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.356 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.4 mp -120.82 149.26 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-O 120.877 0.37 . . . . 0.0 111.512 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.527 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 8.9 t70 -78.79 155.59 29.19 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 123.554 0.742 . . . . 0.0 111.045 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.25 -33.57 13.21 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 37.8 m -74.08 -54.34 8.03 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -175.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -107.59 -9.85 15.8 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.617 0.246 . . . . 0.0 110.812 -177.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 8.7 mtmp? 71.04 26.51 3.51 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.689 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -73.6 136.17 43.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.588 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.9 mp -80.7 118.46 28.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.89 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.21 -48.29 19.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.824 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.497 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . . . -139.73 113.28 8.49 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 120.452 -0.499 . . . . 0.0 112.26 -177.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.72 99.63 7.07 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.174 175.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.518 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 2.6 p-80 -166.78 165.53 16.25 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.305 -177.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.9 165.88 20.4 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 45.9 mt -64.38 -25.59 38.32 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-O 121.136 0.494 . . . . 0.0 109.883 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -13.05 58.74 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.325 177.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -86.68 -18.6 30.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.258 0.551 . . . . 0.0 109.764 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.6 mt -84.25 114.4 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.326 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.2 m -86.73 -26.58 24.14 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.868 -175.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 18.2 t -161.82 161.04 28.88 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.653 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.01 136.43 25.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -151.47 -176.73 5.71 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.974 0.416 . . . . 0.0 111.428 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 11.2 pt20 -146.76 172.85 12.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.781 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 12.7 t70 -86.04 137.16 35.44 Favored Pre-proline 0 C--N 1.323 -0.582 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.797 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 32.1 Cg_exo -63.81 -38.83 36.95 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.128 2.552 . . . . 0.0 113.92 179.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -88.51 -35.72 16.82 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.715 -176.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -110.64 103.59 12.18 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.164 0.507 . . . . 0.0 109.969 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 66.4 mt -80.65 5.48 15.46 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.564 -176.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.2 t -106.72 -0.25 23.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.157 0.504 . . . . 0.0 110.237 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 36.2 m -113.56 125.49 54.24 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.284 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 37.2 p90 -130.12 155.6 45.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.674 -178.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -148.58 134.71 19.27 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.536 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -120.27 148.73 43.34 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.013 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.434 ' CG2' ' HB3' ' A' ' 117' ' ' HIS . 50.0 mt -112.41 127.49 69.59 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.665 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.6 p -111.31 -171.78 1.9 Allowed 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.667 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -132.86 124.92 28.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.032 176.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -111.79 121.04 44.0 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.004 0.431 . . . . 0.0 110.482 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -47.74 81.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.327 -174.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.83 2.25 27.18 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.114 -0.634 . . . . 0.0 112.38 -177.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.5 t -100.49 -34.53 9.89 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 66.24 14.96 9.92 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.369 -177.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.14 -169.52 2.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.625 178.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.434 ' HB3' ' CG2' ' A' ' 108' ' ' ILE . 93.3 m-70 -117.84 134.67 54.7 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 120.769 0.318 . . . . 0.0 111.225 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -98.04 127.05 43.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.456 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.1 t -100.5 112.98 25.41 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 177.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -97.14 106.54 18.89 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.5 p -104.52 130.57 55.18 Favored 'Isoleucine or valine' 0 C--O 1.248 0.979 0 CA-C-O 121.129 0.49 . . . . 0.0 111.247 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -129.08 144.01 51.05 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.54 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 33.3 p -103.63 110.23 22.22 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.9 164.85 25.78 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.482 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -96.96 2.14 51.21 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.958 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -155.37 134.84 12.5 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.492 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 87.1 t -64.08 -55.18 23.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.002 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.13 -37.94 81.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.073 -178.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.84 -46.08 86.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.272 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.84 -49.99 75.55 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.099 0.476 . . . . 0.0 110.669 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.01 -34.5 74.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.773 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -73.2 -29.76 63.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.389 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 64.4 mt -64.92 -46.09 92.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 174.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 44.7 mm -60.4 -39.56 81.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.231 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 14.5 tp -59.47 -47.32 85.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.91 177.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 43.5 m -58.27 -54.08 51.0 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.367 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 65.5 mt -56.1 -51.28 68.48 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 121.101 0.477 . . . . 0.0 110.956 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -55.81 -54.42 35.2 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.425 -0.807 . . . . 0.0 113.291 -177.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -65.81 -36.9 84.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.919 0.36 . . . . 0.0 111.454 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.01 -30.97 72.01 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.725 0.297 . . . . 0.0 111.132 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -88.52 -38.12 15.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.947 0.403 . . . . 0.0 110.804 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.27 -40.86 96.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.387 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.566 ' HA ' ' OE1' ' A' ' 146' ' ' GLN . 11.4 p -56.52 -20.54 11.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -74.61 -9.92 59.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.756 0.312 . . . . 0.0 111.33 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -90.31 -9.98 45.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.012 0.434 . . . . 0.0 111.049 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . 0.566 ' OE1' ' HA ' ' A' ' 143' ' ' VAL . 2.4 mp0 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.112 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.895 0.378 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -84.15 98.48 9.94 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.053 0.454 . . . . 0.0 110.197 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.71 -18.93 61.61 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.509 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.654 ' HA ' ' O ' ' A' ' 18' ' ' SER . 14.5 tt -65.8 -6.18 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 CA-C-O 121.092 0.472 . . . . 0.0 111.944 -178.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.51 -11.0 41.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.953 0.406 . . . . 0.0 110.681 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -130.5 -19.62 3.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.303 0.573 . . . . 0.0 111.193 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.654 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 9.6 m -143.31 161.66 37.75 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.79 -178.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.4 m -133.79 132.96 41.1 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 120.799 0.333 . . . . 0.0 110.805 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' OD1' HG22 ' A' ' 65' ' ' ILE . 1.1 t70 -102.72 115.17 30.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.369 -178.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -127.06 121.97 33.04 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.472 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -84.33 106.86 16.26 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.165 0.507 . . . . 0.0 110.802 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.77 179.36 3.99 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.727 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.426 ' HB1' ' CE1' ' A' ' 125' ' ' PHE . . . -113.53 130.42 56.35 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.922 177.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.401 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -77.39 106.37 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.848 0.356 . . . . 0.0 110.424 -177.272 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.411 ' HB3' HG13 ' A' ' 121' ' ' VAL . 52.1 tp -79.21 -57.82 3.53 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.73 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.53 164.73 29.23 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 119.53 -1.319 . . . . 0.0 113.323 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.6 p -113.51 122.03 46.05 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -115.71 140.01 49.61 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 121.072 0.463 . . . . 0.0 111.023 -177.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -81.61 127.42 32.86 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.486 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.437 ' HB ' ' HB2' ' A' ' 117' ' ' HIS . 24.3 mm -106.22 119.5 55.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.276 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -56.99 -57.39 12.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.366 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -138.88 153.64 48.31 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.152 0.501 . . . . 0.0 111.714 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.38 115.56 29.52 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.01 -177.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -116.37 34.13 5.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.26 -146.77 20.44 Favored Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 -176.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.45 ' HB ' HE22 ' A' ' 41' ' ' GLN . 3.1 p -74.4 -0.62 17.89 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.239 0.542 . . . . 0.0 111.467 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -57.86 -45.66 85.99 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -66.21 -42.51 88.66 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.699 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.5 p -61.75 -54.24 45.19 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.085 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.45 HE22 ' HB ' ' A' ' 37' ' ' THR . 0.7 OUTLIER -66.32 -29.57 69.81 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.428 -179.684 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.22 -62.58 1.73 Allowed 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.338 0.59 . . . . 0.0 109.878 176.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.425 ' HB2' ' HE2' ' A' ' 47' ' ' MET . . . -61.17 -51.47 68.91 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.042 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.1 t -54.85 -52.81 61.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.681 -177.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.48 -38.86 91.48 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 121.144 -0.223 . . . . 0.0 111.404 -177.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -62.99 -50.39 70.93 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.425 ' HE2' ' HB2' ' A' ' 43' ' ' ALA . 4.1 mpp? -71.86 -33.66 68.6 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.332 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.47 -44.95 92.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.46 -27.57 65.35 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.13 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -69.28 -44.86 70.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.644 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.2 p -73.92 -23.91 59.61 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.005 0.431 . . . . 0.0 110.721 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -76.84 -31.83 57.13 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 176.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -64.37 164.7 10.86 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.137 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.1 m -78.49 69.93 4.76 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.453 0.644 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.573 ' OG1' ' HB3' ' A' ' 58' ' ' MET . 7.8 p -107.49 117.75 34.91 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.34 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.79 -23.44 58.5 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.997 0.427 . . . . 0.0 110.923 -178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -95.07 -7.38 39.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.392 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.573 ' HB3' ' OG1' ' A' ' 55' ' ' THR . 30.2 tpp -119.7 49.23 1.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.264 0.554 . . . . 0.0 111.036 -176.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.46 145.62 43.32 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.087 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? 62.05 94.65 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.094 0.558 . . . . 0.0 111.888 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 m -104.1 144.47 28.76 Favored Pre-proline 0 C--N 1.314 -0.938 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.456 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.56 155.07 64.04 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.064 2.509 . . . . 0.0 113.58 -177.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.2 m -77.77 147.32 35.37 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.479 -178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.473 HD12 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -144.82 139.16 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.103 -179.247 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.429 HG22 ' OD1' ' A' ' 20' ' ' ASP . 3.4 mp -83.15 110.35 18.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.065 0.459 . . . . 0.0 111.221 -178.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -84.72 92.91 8.32 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 174.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.8 t -98.03 99.51 10.79 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 121.671 0.748 . . . . 0.0 110.37 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 p -99.84 121.37 50.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 114.843 -1.072 . . . . 0.0 111.56 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.566 ' HB3' ' O ' ' A' ' 72' ' ' GLY . 32.4 t -128.22 150.52 49.99 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.556 177.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.67 -12.63 60.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.979 0.418 . . . . 0.0 110.784 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.77 11.18 22.59 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.566 ' O ' ' HB3' ' A' ' 69' ' ' SER . . . 148.09 139.77 3.25 Favored Glycine 0 C--O 1.223 -0.578 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.687 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.3 t -111.56 124.24 68.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-O 121.031 0.444 . . . . 0.0 109.912 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -121.86 147.27 46.2 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.438 -177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.473 ' HB3' HD12 ' A' ' 64' ' ' ILE . 3.4 m-85 -124.94 121.65 35.07 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.74 -177.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.447 ' O ' HG12 ' A' ' 64' ' ' ILE . 2.4 mp -128.29 143.21 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.392 -178.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.3 145.18 42.02 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.089 0.471 . . . . 0.0 111.058 178.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.77 -24.06 19.53 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -177.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.1 p -75.97 -52.92 9.22 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -174.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -116.32 3.24 13.34 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.428 -0.17 . . . . 0.0 111.085 -176.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt 67.12 32.82 5.95 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.976 0.893 . . . . 0.0 109.143 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -76.95 125.61 29.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.049 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.502 ' H ' HD13 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -75.81 123.6 32.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-O 121.003 0.43 . . . . 0.0 110.438 179.012 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.437 ' HB ' ' O ' ' A' ' 75' ' ' PHE . 1.8 mp -82.52 -58.99 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 84' ' ' ILE . . . 175.13 166.61 0.3 Allowed 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.041 0.448 . . . . 0.0 111.62 178.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.86 129.57 36.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.35 175.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -136.42 148.1 47.6 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -71.36 148.22 47.23 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.238 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.5 tp -60.45 -34.48 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.282 0.563 . . . . 0.0 110.598 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -64.44 -13.98 54.44 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.019 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.569 ' ND2' ' HB ' ' A' ' 109' ' ' THR . 9.6 t30 -91.84 -16.47 26.7 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.484 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.1 mt -78.49 105.02 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.9 t -75.31 -29.62 60.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.257 -174.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.0 t -154.66 140.2 17.87 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.032 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.53 106.23 8.38 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.36 -174.06 3.29 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.823 0.344 . . . . 0.0 110.923 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.438 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 5.0 pm0 -146.63 177.93 8.69 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.159 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -70.26 139.61 87.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -57.47 -35.31 98.86 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.912 2.408 . . . . 0.0 113.518 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -114.49 -28.11 7.3 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -96.51 99.92 11.54 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.156 0.503 . . . . 0.0 110.491 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.5 mt -81.04 15.12 1.96 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.462 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.8 t -115.15 4.92 14.7 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.2 m -125.94 126.06 43.76 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.883 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 122' ' ' PHE . 43.1 p90 -125.91 152.72 45.22 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.151 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -143.73 122.23 12.45 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.476 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 49.1 p90 -114.16 146.24 40.6 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.328 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 52.3 mt -115.13 127.93 72.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.794 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.569 ' HB ' ' ND2' ' A' ' 91' ' ' ASN . 80.9 p -108.13 144.04 36.08 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.086 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -114.54 70.64 0.74 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.618 0.723 . . . . 0.0 109.459 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.433 ' HA ' ' OD1' ' A' ' 91' ' ' ASN . 6.9 m-20 -72.64 127.45 32.6 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.326 -179.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.46 -20.95 64.65 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.274 0.559 . . . . 0.0 109.654 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -75.34 -23.72 57.25 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.088 176.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.3 t -97.04 -41.31 8.43 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.972 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 40.5 t30 72.94 -46.26 0.64 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.608 0.763 . . . . 0.0 110.355 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -82.54 145.17 29.9 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.681 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.437 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 52.4 m80 -71.42 129.01 37.74 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 -178.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.1 119.98 38.26 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.864 0.364 . . . . 0.0 111.262 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 49.4 t -107.35 119.4 39.29 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 44.2 m-70 -106.99 116.71 32.4 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.411 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.1 p -106.31 132.76 52.66 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 CA-C-O 121.255 0.55 . . . . 0.0 110.831 -178.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 65.9 m-85 -129.92 141.83 50.73 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.889 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 81.7 p -103.07 118.13 36.11 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.56 161.37 26.0 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.426 ' CE1' ' HB1' ' A' ' 24' ' ' ALA . 30.5 m-85 -90.71 -2.69 57.81 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 120.762 0.315 . . . . 0.0 110.69 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -155.57 148.0 23.87 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.487 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 66.0 t -61.26 -41.59 90.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.026 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -65.73 -41.4 92.28 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.19 -49.21 76.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.988 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.08 -49.02 73.91 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.319 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.93 86.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -63.27 -42.5 99.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.74 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.8 mt -61.7 -48.28 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.165 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 27.1 mm -56.02 -45.35 80.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.36 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.484 ' O ' ' HG2' ' A' ' 139' ' ' GLN . 10.1 tt -63.1 -49.48 74.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.464 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 16.8 m -61.49 -42.81 99.36 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.016 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 88.7 mt -59.6 -45.76 90.94 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.715 0.293 . . . . 0.0 110.348 177.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.21 -46.74 93.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.016 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 14.0 mm100 -60.28 -45.5 93.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.312 . . . . 0.0 110.679 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.92 -37.64 86.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.465 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -70.01 -47.02 63.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.176 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -74.1 -29.04 61.65 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -177.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.9 p -69.22 -26.95 32.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 120.186 -0.606 . . . . 0.0 110.023 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -91.43 -13.04 33.03 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.946 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -81.42 -36.94 28.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.001 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 . . . . . 0 C--O 1.254 1.305 0 CA-C-O 118.677 -0.678 . . . . 0.0 110.351 179.38 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 120.868 0.366 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.7 tptt -104.9 141.83 35.84 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.457 HD13 ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -115.34 26.85 9.77 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -175.636 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.41 ' H ' HD11 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -62.56 -25.14 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -102.58 -19.31 14.89 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.316 0.579 . . . . 0.0 110.126 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -86.5 -15.49 39.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.301 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.7 p -90.98 136.97 32.72 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.707 177.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.563 ' HB3' ' CG1' ' A' ' 68' ' ' VAL . 41.9 t -89.75 96.48 10.71 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.621 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.75 99.77 8.65 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.216 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.408 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 87.6 m-85 -140.77 178.35 7.4 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.54 106.46 17.16 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 120.99 0.424 . . . . 0.0 110.975 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.52 177.34 5.97 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.467 ' HB3' HG23 ' A' ' 61' ' ' VAL . . . -116.5 124.41 49.83 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.075 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.563 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 13.8 t80 -78.79 105.45 10.1 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.804 -177.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.1 tp -88.1 -52.79 5.05 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.632 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.62 163.04 22.99 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 119.215 -1.469 . . . . 0.0 114.199 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -114.69 109.03 17.59 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.59 ' HE3' ' SD ' ' A' ' 47' ' ' MET . 1.4 mpp? -116.92 132.69 56.64 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.803 0.335 . . . . 0.0 111.838 -176.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 116' ' ' HIS . 21.7 tp -80.72 129.74 34.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.529 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.7 mm -109.37 142.42 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.531 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.47 -54.44 28.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.532 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -135.56 138.72 43.29 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.05 0.452 . . . . 0.0 110.3 178.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.2 mm? -104.54 101.04 10.71 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.628 -178.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -111.76 88.07 2.71 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.17 -142.26 45.84 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.596 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.6 t -91.09 2.89 55.99 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.192 0.52 . . . . 0.0 110.632 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -65.62 -45.38 83.32 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 m -66.59 -39.38 88.38 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.208 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.3 p -66.46 -43.42 85.56 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.016 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -67.93 -34.39 76.52 Favored 'General case' 0 CA--C 1.523 -0.094 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -57.47 -55.26 37.11 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.785 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.03 94.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.684 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.0 t -54.23 -55.19 30.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.525 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.49 78.91 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.858 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -54.22 -60.03 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.753 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.59 ' SD ' ' HE3' ' A' ' 29' ' ' MET . 5.0 mpp? -76.14 -29.16 57.68 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -68.43 -25.86 65.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.976 0.417 . . . . 0.0 110.578 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.35 -31.66 14.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.005 0.431 . . . . 0.0 110.496 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -85.91 -4.73 59.24 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.258 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.479 ' HB2' ' HG2' ' A' ' 58' ' ' MET . 31.8 p -51.94 -30.17 23.44 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -178.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -65.95 -13.49 59.86 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.95 85.61 1.1 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.994 0.426 . . . . 0.0 111.08 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.6 t -153.23 98.23 2.25 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.9 m 68.55 -76.52 0.06 Allowed 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -113.72 173.21 6.53 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -64.16 124.12 20.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 173.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.764 ' SD ' HG12 ' A' ' 61' ' ' VAL . 21.5 tpp -76.57 -84.95 0.06 Allowed 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -171.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm 63.12 -78.16 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 122.981 0.512 . . . . 0.0 111.481 -176.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.579 ' O ' HG23 ' A' ' 61' ' ' VAL . 20.6 ttmm -137.52 15.74 2.94 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.829 0.347 . . . . 0.0 110.138 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.764 HG12 ' SD ' ' A' ' 58' ' ' MET . 1.5 m 59.07 170.99 0.06 OUTLIER Pre-proline 0 N--CA 1.493 1.699 0 C-N-CA 124.615 1.166 . . . . 0.0 112.103 176.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.562 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 36.6 Cg_endo -69.63 146.71 61.85 Favored 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 121.648 1.566 . . . . 0.0 112.051 177.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.7 m -88.71 133.82 34.1 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.212 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -123.71 123.22 66.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.12 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.6 mt -70.61 107.2 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.34 104.39 16.95 Favored 'General case' 0 N--CA 1.424 -1.745 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.267 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -108.18 89.69 3.07 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.32 0.581 . . . . 0.0 109.814 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.563 ' CG1' ' HB3' ' A' ' 19' ' ' CYS . 5.5 p -104.3 118.62 51.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-O 121.496 0.665 . . . . 0.0 111.54 -178.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.8 t -123.67 163.63 20.7 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.364 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.08 116.68 4.36 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.741 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HA ' ' HB ' ' A' ' 89' ' ' ILE . 98.5 mttt 72.97 10.74 5.31 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.832 178.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.78 117.33 0.77 Allowed Glycine 0 CA--C 1.511 -0.176 0 C-N-CA 119.832 -1.175 . . . . 0.0 112.66 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.5 t -119.95 130.71 73.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.242 0.544 . . . . 0.0 111.458 -178.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -122.16 132.21 54.34 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.884 -178.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.413 ' HB3' HD13 ' A' ' 64' ' ' ILE . 6.9 m-85 -121.23 112.16 18.29 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.487 ' O ' HG12 ' A' ' 64' ' ' ILE . 2.0 mp -117.12 143.84 26.4 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.311 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.555 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 6.5 t70 -80.35 134.19 36.01 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.09 -15.71 25.77 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.147 0.499 . . . . 0.0 110.532 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -70.16 -52.84 20.33 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.951 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -119.72 -3.92 10.27 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.926 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 28.2 mtpp 72.83 35.72 0.99 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.299 0.64 . . . . 0.0 110.869 -177.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -81.25 127.39 32.65 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.597 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 83' ' ' ILE . 3.0 mp -74.96 99.69 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 175.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 77.4 mt -73.25 -59.26 3.55 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.671 -175.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -163.14 157.21 20.3 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.106 -0.637 . . . . 0.0 112.089 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -149.73 124.1 9.61 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -146.6 158.62 43.93 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.04 0.447 . . . . 0.0 111.751 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.63 167.06 22.5 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.241 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.414 HG12 ' HA ' ' A' ' 141' ' ' PHE . 9.7 tp -59.59 -31.17 46.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -176.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -15.58 62.31 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -78.25 -20.34 51.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.311 0.577 . . . . 0.0 109.791 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.7 mt -98.63 125.91 51.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 28.5 p -99.17 -30.76 12.1 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.548 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 35.8 t -153.97 158.07 40.1 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.123 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.87 116.1 7.96 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.29 133.87 35.48 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.393 -0.523 . . . . 0.0 112.052 -177.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -85.37 151.97 23.61 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -65.65 122.42 80.44 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.625 0.25 . . . . 0.0 110.543 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.05 -45.26 42.31 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 123.275 2.65 . . . . 0.0 114.256 -177.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -84.13 -38.67 20.42 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -175.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -121.63 104.04 9.33 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.026 0.441 . . . . 0.0 110.084 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 71.5 mt -77.62 7.02 6.15 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -175.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.9 m -96.45 10.85 36.98 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.444 0.64 . . . . 0.0 110.462 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.7 t -145.63 148.82 33.51 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.071 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.43 ' HB2' HD12 ' A' ' 134' ' ' ILE . 52.2 p90 -148.25 159.98 43.42 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.042 0.449 . . . . 0.0 111.675 -176.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.24 127.83 20.16 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.521 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -112.53 143.9 42.91 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.098 0.475 . . . . 0.0 110.278 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.6 mt -96.65 126.47 49.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.142 -178.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.14 145.9 48.99 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.03 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -94.87 94.81 8.26 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -72.8 97.53 2.24 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.498 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -62.98 -13.26 32.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.569 -0.742 . . . . 0.0 112.241 -177.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -82.39 -25.94 33.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.783 0.325 . . . . 0.0 110.685 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.5 p -115.28 -8.08 12.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.15 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.1 t30 62.79 27.44 16.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.454 0.702 . . . . 0.0 110.729 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.434 ' HB3' HD13 ' A' ' 30' ' ' LEU . 64.2 m80 -135.76 165.69 25.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -95.7 117.46 30.54 Favored 'General case' 0 C--O 1.254 1.291 0 CA-C-O 121.906 0.86 . . . . 0.0 112.178 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 30' ' ' LEU . 16.2 m-85 -102.67 132.87 48.5 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 114.68 -1.145 . . . . 0.0 110.959 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 49.9 t -92.61 105.83 17.92 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -93.57 108.16 19.91 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.42 132.55 47.02 Favored 'Isoleucine or valine' 0 C--O 1.25 1.087 0 CA-C-O 121.393 0.616 . . . . 0.0 111.893 -176.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.563 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 10.7 m-85 -129.98 146.53 51.67 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.642 178.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.458 HG23 ' HB1' ' A' ' 24' ' ' ALA . 3.0 t -112.76 164.5 13.3 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 175.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -122.34 164.12 18.51 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.265 0.555 . . . . 0.0 112.138 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -85.06 -16.51 40.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.278 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -143.65 139.32 29.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.759 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 8.0 p -62.51 -39.8 85.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -177.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -71.06 -35.03 71.75 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.92 -41.64 96.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.441 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.21 -52.27 65.51 Favored 'General case' 0 C--O 1.249 1.073 0 CA-C-O 121.127 0.489 . . . . 0.0 110.177 177.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.09 -31.78 73.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.251 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.26 -45.45 84.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.227 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.29 -47.8 91.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.406 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.43 HD12 ' HB2' ' A' ' 105' ' ' PHE . 21.7 mm -60.0 -42.64 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 120.859 0.362 . . . . 0.0 110.753 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.25 -44.07 97.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.303 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 25.0 m -64.67 -40.55 95.59 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.559 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 77.2 mt -60.29 -47.03 87.76 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.287 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.51 -46.32 94.13 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.004 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -60.47 -43.31 97.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.003 0.43 . . . . 0.0 110.473 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.61 -29.64 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.078 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.414 ' HA ' HG12 ' A' ' 89' ' ' ILE . 78.3 t80 -77.61 -45.33 25.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.168 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.64 ' HA ' ' CE2' ' A' ' 145' ' ' TYR . 14.5 pt-20 -70.11 -37.52 75.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.768 -177.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.4 p -67.57 -4.74 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 121.035 0.445 . . . . 0.0 111.402 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -82.66 -26.47 32.1 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.367 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.64 ' CE2' ' HA ' ' A' ' 142' ' ' GLU . 42.9 p90 -115.07 -19.66 10.79 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . 0.582 ' HG3' ' O ' ' A' ' 142' ' ' GLU . 4.7 pp0? . . . . . 0 C--O 1.247 0.955 0 CA-C-O 119.07 -0.49 . . . . 0.0 110.625 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -83.45 135.89 34.51 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.409 HD13 ' N ' ' A' ' 15' ' ' ILE . 3.8 pp -61.0 -23.63 65.53 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -175.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.409 ' N ' HD13 ' A' ' 14' ' ' LEU . 12.8 tt -57.17 -17.78 6.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 121.032 0.444 . . . . 0.0 111.93 -179.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.98 -25.75 61.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.938 0.399 . . . . 0.0 111.17 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -132.9 3.68 3.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.606 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.569 ' OG ' ' HB2' ' A' ' 69' ' ' SER . 1.3 m -136.53 155.84 49.4 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.15 -178.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.0 t -109.59 142.1 41.16 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -102.45 109.91 21.7 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.43 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.433 ' CD2' HG12 ' A' ' 133' ' ' ILE . 69.5 m-85 -118.67 138.39 52.65 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 122.339 -0.225 . . . . 0.0 111.253 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -101.38 114.42 28.39 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.45 172.82 8.42 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.847 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.449 ' HB1' HG22 ' A' ' 123' ' ' THR . . . -97.81 122.13 40.55 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.469 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 1.0 OUTLIER -74.05 93.51 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.619 -177.681 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.1 tp -73.33 -55.61 6.17 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.04 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.46 160.0 21.07 Favored Glycine 0 N--CA 1.44 -1.091 0 C-N-CA 119.535 -1.316 . . . . 0.0 113.549 176.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.2 m -120.18 98.32 6.01 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.57 ' HE2' ' SD ' ' A' ' 47' ' ' MET . 0.9 OUTLIER -97.34 139.54 33.13 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.492 -173.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD13 ' CE2' ' A' ' 118' ' ' TYR . 20.1 tp -88.45 119.94 29.35 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.452 -177.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.413 HD13 ' SG ' ' A' ' 119' ' ' CYS . 22.0 mm -102.09 143.8 14.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.926 -177.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -83.96 -64.82 1.09 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.553 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -112.23 133.64 54.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.77 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -92.29 132.44 36.7 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.398 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -146.5 84.77 1.63 Allowed 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.382 0.61 . . . . 0.0 110.826 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 55.44 -142.08 37.29 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.056 -0.975 . . . . 0.0 112.894 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -90.12 4.56 50.03 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.785 0.326 . . . . 0.0 110.685 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -69.99 -36.26 75.03 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 m -63.8 -45.99 87.2 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.184 0.516 . . . . 0.0 110.391 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.7 p -67.31 -38.43 84.93 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.786 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -69.57 -37.88 77.17 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.283 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -56.63 -50.15 72.88 Favored 'General case' 0 C--O 1.25 1.113 0 CA-C-O 121.434 0.635 . . . . 0.0 109.291 176.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.03 65.67 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.799 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.3 t -55.83 -45.82 78.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.954 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.87 -47.52 84.64 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.996 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -66.43 -48.17 70.87 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.133 -0.627 . . . . 0.0 112.354 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.57 ' SD ' ' HE2' ' A' ' 29' ' ' MET . 4.3 mpp? -69.09 -33.05 72.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.863 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.42 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 17.9 ttm180 -62.99 -45.61 91.61 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.27 86.7 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.851 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.543 ' HB3' ' SD ' ' A' ' 58' ' ' MET . 5.2 m-20 -69.32 -41.5 76.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.318 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.54 -38.51 87.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.806 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 14.3 pt20 -90.0 16.86 7.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.261 0.553 . . . . 0.0 110.394 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -124.29 24.85 7.93 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.8 t -53.76 113.98 1.39 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.27 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.9 m -116.62 -72.9 0.67 Allowed 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.611 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -95.67 -40.17 9.53 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -133.84 -160.78 1.08 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.35 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.543 ' SD ' ' HB3' ' A' ' 50' ' ' ASN . 62.9 mtm 63.41 27.13 15.17 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.14 0.495 . . . . 0.0 110.43 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -69.25 -70.88 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.005 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -141.66 119.4 11.8 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.449 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.431 HG22 ' HB3' ' A' ' 24' ' ' ALA . 33.3 m -69.91 149.16 96.5 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.813 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.45 153.79 76.69 Favored 'Trans proline' 0 C--O 1.243 0.732 0 C-N-CA 122.633 2.222 . . . . 0.0 112.667 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.6 m -81.15 132.56 35.36 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.506 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.524 HD11 ' HB3' ' A' ' 75' ' ' PHE . 1.3 tt -116.83 142.83 28.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.17 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 54.2 mt -95.52 100.92 11.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 CA-C-O 121.574 0.702 . . . . 0.0 109.519 176.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.4 mt -81.08 101.31 9.52 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.675 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.5 m -93.41 105.55 17.6 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.2 p -110.88 126.7 68.26 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.569 ' HB2' ' OG ' ' A' ' 18' ' ' SER . 42.1 t -129.6 153.21 48.29 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.792 178.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.32 -12.27 60.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.953 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -104.84 -7.23 19.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.326 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.06 172.28 32.32 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 119.73 -1.224 . . . . 0.0 112.635 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.6 m -128.0 146.04 34.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-O 121.205 0.526 . . . . 0.0 111.434 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -132.22 109.59 10.04 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.195 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.524 ' HB3' HD11 ' A' ' 64' ' ' ILE . 10.5 m-85 -98.22 105.33 17.46 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -178.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.0 mt -116.37 142.59 29.27 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.017 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.115 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.646 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 1.2 t70 -78.12 148.89 33.97 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.69 -19.33 20.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.815 0.34 . . . . 0.0 111.743 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 m -71.08 -56.57 5.85 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.173 0.511 . . . . 0.0 111.689 -176.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -113.97 -6.2 13.16 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.967 -177.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.646 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 14.1 mptt 70.7 33.59 2.26 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.815 -176.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -70.04 127.53 33.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.725 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.41 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.5 mp -77.43 95.34 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.7 mt -70.14 -56.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 114.92 -1.037 . . . . 0.0 111.062 -176.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -165.72 142.98 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.586 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -136.59 136.72 39.47 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -144.05 164.27 31.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.432 -177.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -75.24 163.67 27.26 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.55 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.5 tp -62.46 -29.8 47.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.402 0.62 . . . . 0.0 109.562 177.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -64.82 -12.97 54.04 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.521 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -23.45 29.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.71 0.29 . . . . 0.0 110.894 -179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 mt -79.03 126.8 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -106.41 -33.88 7.59 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.726 -176.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 38.8 t -158.14 163.02 37.99 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.755 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.17 116.32 10.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.962 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.07 176.67 7.18 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.777 0.322 . . . . 0.0 110.674 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.483 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 13.9 pt20 -142.43 174.63 10.45 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.202 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -87.44 133.2 38.85 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.01 -41.35 7.66 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.889 2.393 . . . . 0.0 113.627 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.31 -40.38 14.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.785 0.326 . . . . 0.0 111.546 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -103.91 93.97 5.16 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.29 0.567 . . . . 0.0 109.546 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.4 mt -71.1 -2.6 16.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.88 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t -100.69 9.28 42.64 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-O 121.028 0.442 . . . . 0.0 109.991 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 63.6 m -129.91 139.24 51.17 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.931 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.483 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 42.8 p90 -140.4 163.88 31.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.905 0.384 . . . . 0.0 111.93 -177.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 120' ' ' HIS . . . -151.47 117.72 5.61 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.684 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -112.59 145.33 40.54 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.051 0.453 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 69.3 mt -93.2 123.88 45.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.363 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.4 p -123.82 147.48 47.55 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 114.843 -1.072 . . . . 0.0 109.454 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.74 126.0 35.3 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 121.281 0.563 . . . . 0.0 112.352 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -111.78 118.27 35.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.573 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.84 -27.32 68.69 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.972 -176.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -77.12 -17.02 58.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.396 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 115' ' ' ASN . 50.7 m -101.7 -7.3 22.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.419 ' HB3' ' O ' ' A' ' 114' ' ' SER . 28.3 t30 72.63 -58.73 0.59 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.902 0.481 . . . . 0.0 112.167 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -83.41 174.43 10.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.083 0.468 . . . . 0.0 111.578 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -105.08 140.37 38.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.401 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.411 ' CE2' HD13 ' A' ' 30' ' ' LEU . 96.0 m-85 -102.58 129.34 49.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.909 -178.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.413 ' SG ' HD13 ' A' ' 31' ' ' ILE . 27.0 p -98.24 112.75 24.63 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 106' ' ' ALA . 19.8 m80 -89.97 104.12 16.72 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.187 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.8 p -104.26 121.0 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 CA-C-O 121.787 0.804 . . . . 0.0 110.478 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 94.0 m-85 -129.57 140.92 51.08 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.66 -179.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.449 HG22 ' HB1' ' A' ' 24' ' ' ALA . 3.5 t -111.8 128.59 56.15 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.318 0.58 . . . . 0.0 109.819 178.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.21 161.21 15.16 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.365 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -87.14 -13.02 45.28 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.373 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -139.56 142.61 37.16 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.291 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.69 -40.6 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.398 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -62.87 -39.78 95.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.426 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -61.97 -46.24 90.12 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.07 90.58 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.352 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.55 -41.15 98.45 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.015 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -59.14 -45.04 91.99 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.949 0.404 . . . . 0.0 110.944 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.433 HG12 ' CD2' ' A' ' 21' ' ' TYR . 52.8 mt -62.47 -48.12 89.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.644 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 43.4 mm -62.45 -40.42 88.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.612 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.16 -48.59 81.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.997 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 24.8 m -64.51 -44.04 92.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.001 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.02 -46.37 91.0 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.863 0.363 . . . . 0.0 110.779 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.72 -41.16 99.87 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.947 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -67.34 -41.82 84.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.792 0.33 . . . . 0.0 110.562 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.19 -47.83 84.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.758 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -66.55 -37.43 84.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.055 0.455 . . . . 0.0 110.484 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.25 -49.5 71.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.922 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.68 -18.69 21.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.953 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -71.49 -32.77 68.63 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.925 0.393 . . . . 0.0 110.715 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -91.48 -23.52 19.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.365 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.128 -179.716 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 pptp? -161.34 130.66 4.67 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.174 178.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.2 mt -140.14 149.72 43.36 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.474 ' HA ' ' O ' ' A' ' 18' ' ' SER . 58.6 mt -66.03 88.92 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-O 121.36 0.6 . . . . 0.0 110.221 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 172.81 -45.74 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 125.051 1.341 . . . . 0.0 107.833 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -105.85 -18.12 14.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.35 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.474 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 57.8 p -138.78 146.33 41.23 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.832 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.9 t -118.48 131.23 56.26 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -106.97 129.85 54.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -136.71 157.48 46.66 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.378 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -107.92 106.48 16.76 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.76 168.24 9.56 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.66 121.05 43.57 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.005 179.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -68.52 101.73 1.32 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -177.857 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.2 tp -84.73 -55.24 4.21 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.002 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.71 165.24 37.61 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 119.272 -1.442 . . . . 0.0 114.012 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.2 p -132.39 110.61 10.67 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 176.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -103.82 139.76 38.58 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.562 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.423 HD22 ' CZ ' ' A' ' 118' ' ' TYR . 2.5 tm? -84.87 125.62 32.78 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.382 177.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.413 HG23 ' HB3' ' A' ' 34' ' ' LEU . 14.7 mm -104.84 121.18 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.561 179.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -64.35 -54.62 30.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.008 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -140.25 134.47 31.11 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.234 -0.894 . . . . 0.0 108.879 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.413 ' HB3' HG23 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -133.45 148.86 51.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -174.575 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.3 mtp85 -141.72 108.32 5.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.026 176.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.22 -129.11 25.86 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.186 -0.53 . . . . 0.0 113.712 177.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 t -105.87 8.58 32.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.929 0.395 . . . . 0.0 111.595 -176.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.3 -47.7 81.19 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.68 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 m -69.3 -37.06 77.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.131 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.3 p -64.08 -49.22 73.12 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 110.36 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.66 -33.45 74.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.641 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -59.02 -50.76 72.88 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.004 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.04 -51.67 67.05 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.853 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.6 m -51.93 -51.23 58.43 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.394 0.433 . . . . 0.0 111.712 -178.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.09 -55.62 20.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.975 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -62.6 -42.47 99.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.975 0.417 . . . . 0.0 111.424 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.5 ttp -64.67 -45.3 87.3 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.687 -178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -67.18 -32.92 74.33 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 119.775 -0.77 . . . . 0.0 110.34 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.484 ' HA ' HE21 ' A' ' 52' ' ' GLN . . . -66.74 -34.21 77.34 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-O 121.17 0.51 . . . . 0.0 110.234 177.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -76.75 -41.47 44.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.212 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.5 t -64.93 -45.23 86.7 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.61 -178.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.723 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 29.6 pt20 -66.29 118.28 9.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.49 0.662 . . . . 0.0 110.391 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.448 ' O ' ' HE2' ' A' ' 58' ' ' MET . 10.6 tppt? -164.3 171.62 14.62 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -176.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.8 m -91.26 25.58 2.49 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.358 0.599 . . . . 0.0 109.687 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.1 m -99.86 -78.68 0.5 Allowed 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.346 -175.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' HE3' ' A' ' 58' ' ' MET . 33.5 mm-40 -94.29 -176.77 4.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.56 -175.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -99.59 89.29 4.09 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.723 ' SD ' ' HA ' ' A' ' 52' ' ' GLN . 0.1 OUTLIER -61.48 157.5 16.9 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.396 -178.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? 75.91 -37.55 0.32 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.807 0.843 . . . . 0.0 110.723 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -83.78 81.18 8.87 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.482 ' HB ' ' HD2' ' A' ' 62' ' ' PRO . 20.4 m -125.25 161.85 47.46 Favored Pre-proline 0 C--N 1.309 -1.187 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.075 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.482 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 30.5 Cg_exo -38.39 118.72 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 C-N-CA 123.79 2.993 . . . . 0.0 113.98 -179.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.5 m -77.01 132.07 38.77 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.528 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.442 HD12 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -128.34 136.2 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.118 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.465 -178.874 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 65.8 mt -84.49 114.31 24.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.491 0.662 . . . . 0.0 111.224 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 122' ' ' PHE . 1.5 mm? -84.76 103.93 14.28 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.54 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.1 m -105.28 99.79 9.39 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.3 p -103.75 129.71 55.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.062 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.421 ' HB2' ' HB3' ' A' ' 18' ' ' SER . 32.3 t -146.68 153.81 40.71 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.33 -8.78 56.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.261 0.553 . . . . 0.0 109.958 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -98.81 4.78 47.67 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.128 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.44 161.05 9.18 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.637 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.0 m -119.34 138.96 48.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-O 121.164 0.507 . . . . 0.0 110.705 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -138.47 136.28 36.02 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.477 0.656 . . . . 0.0 110.956 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.442 ' HB3' HD12 ' A' ' 64' ' ' ILE . 11.7 m-85 -117.41 104.75 11.42 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.347 -176.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.3 mp -110.46 147.6 14.53 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.179 -176.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.548 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 12.4 t70 -64.38 149.86 47.47 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.15 -26.59 17.35 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -100.94 -34.84 9.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.051 0.453 . . . . 0.0 111.333 -177.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -100.63 -21.13 15.36 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.151 0.501 . . . . 0.0 110.157 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.548 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 24.6 ttpp 63.75 29.91 14.76 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.319 -179.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -79.49 134.07 36.51 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.364 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.3 tp -72.02 95.08 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.92 0.867 . . . . 0.0 109.815 176.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.6 mt -72.75 -55.32 13.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.892 -175.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.85 142.07 19.44 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.696 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -142.78 142.96 31.99 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.086 0.47 . . . . 0.0 110.389 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -150.82 163.54 38.38 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.71 155.13 40.82 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 6.1 tp -60.22 -36.01 65.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-O 121.141 0.496 . . . . 0.0 110.867 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -70.21 -8.76 52.52 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.089 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -78.23 -21.66 49.61 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.968 0.414 . . . . 0.0 110.121 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.7 mt -76.44 116.79 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.2 p -89.68 -28.53 19.39 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.292 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.411 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 46.9 t -151.97 150.16 29.69 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.944 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.59 122.33 19.85 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -153.34 -169.2 3.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.923 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -154.71 178.96 9.53 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.755 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 12.5 t70 -70.8 142.53 88.35 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.653 -179.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 15.7 Cg_exo -68.63 -28.52 31.15 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.817 2.344 . . . . 0.0 113.984 -179.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -105.35 -34.96 7.68 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.136 -177.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -111.96 100.78 9.16 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.259 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.0 mp -81.25 10.9 4.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.366 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -95.09 -11.93 27.41 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.3 m -105.14 117.94 35.27 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.619 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -112.18 144.47 41.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.812 0.339 . . . . 0.0 110.952 -177.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.417 ' HB3' ' SG ' ' A' ' 119' ' ' CYS . . . -135.15 120.58 19.16 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 -177.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -114.82 143.01 45.78 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 120.895 0.378 . . . . 0.0 110.235 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 117' ' ' HIS . 70.7 mt -108.74 121.0 61.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.554 -179.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 12.1 p -108.85 159.92 16.4 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.164 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -104.33 113.8 27.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.029 0.442 . . . . 0.0 111.182 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -101.42 96.2 6.99 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.954 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 29.1 tp -66.22 -12.02 53.58 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.666 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -65.31 -33.33 75.72 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.4 p -113.19 -9.75 13.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.249 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 64.1 t30 64.54 31.31 12.44 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.745 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -131.5 177.29 7.61 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.268 177.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 108' ' ' ILE . 29.8 m-70 -112.58 134.14 54.26 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.818 0.342 . . . . 0.0 110.304 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.423 ' CZ ' HD22 ' A' ' 30' ' ' LEU . 55.2 m-85 -111.81 134.01 53.65 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.707 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 106' ' ' ALA . 52.4 t -101.17 102.88 13.89 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.195 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -93.07 109.6 21.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.4 p -116.41 129.94 72.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 CA-C-O 121.306 0.574 . . . . 0.0 111.599 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.469 ' CD2' HD22 ' A' ' 66' ' ' LEU . 8.3 m-85 -126.11 154.54 42.96 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.996 -178.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 39.9 p -101.66 117.42 34.86 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.376 178.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.15 154.63 29.17 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -83.8 -8.33 59.25 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.038 0.447 . . . . 0.0 110.173 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -142.06 135.93 29.66 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.73 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 96.7 t -62.82 -47.64 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.555 -179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -60.32 -38.24 83.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.041 0.448 . . . . 0.0 110.076 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 8.3 tt -58.56 -49.95 75.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.755 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.45 99.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.619 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.43 -39.68 91.67 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.845 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.33 -42.97 99.01 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.979 178.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 71.2 mt -58.33 -49.01 83.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.265 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.42 -43.31 90.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.526 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.64 -47.37 86.53 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 11.6 m -60.84 -45.44 94.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.613 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.42 -44.92 96.3 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.403 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -63.17 -46.26 93.57 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.201 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -63.47 -44.9 93.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.02 92.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.357 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -67.86 -36.09 79.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.152 0.501 . . . . 0.0 110.152 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -71.83 -46.65 57.37 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.242 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.7 p -63.59 -8.38 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-O 120.907 0.384 . . . . 0.0 111.825 -176.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.84 -6.71 6.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.523 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -61.97 -30.96 71.29 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 120.812 0.339 . . . . 0.0 110.483 177.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 . . . . . 0 C--O 1.242 0.698 0 CA-C-O 118.5 -0.762 . . . . 0.0 110.614 -177.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 . . . . . 0 N--CA 1.484 1.25 0 CA-C-O 121.326 0.584 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -134.33 132.74 39.88 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.478 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.2 tp 66.34 14.53 9.73 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.678 0.611 . . . . 0.0 110.008 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.9 tp -63.51 -6.11 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.877 -176.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.39 -29.01 26.55 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.982 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -107.87 -28.81 9.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.745 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.6 p -114.51 131.65 56.57 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.244 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 21' ' ' TYR . 66.5 m -98.58 94.48 6.7 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.92 103.09 15.84 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.025 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 19' ' ' CYS . 51.7 m-85 -118.44 176.02 5.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.753 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -122.84 127.44 49.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.085 0.469 . . . . 0.0 111.507 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.34 -177.72 3.88 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 122' ' ' PHE . . . -121.65 112.0 17.89 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.015 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.496 ' O ' ' HB ' ' A' ' 61' ' ' VAL . 3.5 t80 -57.76 116.21 3.3 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.455 1.102 . . . . 0.0 111.71 -175.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.0 tp -99.45 -59.07 1.79 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.73 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.66 144.21 8.22 Favored Glycine 0 C--N 1.341 0.834 0 C-N-CA 119.799 -1.191 . . . . 0.0 113.424 177.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.9 p -110.08 113.41 26.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.602 ' HE3' ' SD ' ' A' ' 47' ' ' MET . 1.5 tpp -108.37 145.28 34.74 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.247 -175.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.469 HD11 ' CE2' ' A' ' 118' ' ' TYR . 60.7 tp -105.65 117.09 33.13 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.236 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.455 ' CG2' HD22 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -120.52 176.67 3.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -113.31 -73.41 0.66 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -115.55 125.97 53.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -178.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.455 HD22 ' CG2' ' A' ' 31' ' ' ILE . 29.8 mt -128.87 169.51 14.51 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.733 -173.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -148.74 85.93 1.51 Allowed 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.68 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.71 -157.1 26.15 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.084 -0.579 . . . . 0.0 113.987 175.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.1 t -77.49 -0.62 26.81 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.006 0.431 . . . . 0.0 111.517 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -55.75 -41.11 73.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.984 0.421 . . . . 0.0 110.735 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.446 ' HB2' HD21 ' A' ' 34' ' ' LEU . 28.1 t -69.89 -40.95 75.34 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.703 -178.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.9 p -63.72 -38.73 92.22 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 120.614 -0.434 . . . . 0.0 109.889 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -70.99 -36.03 72.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.13 178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -55.56 -58.76 6.43 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-O 121.353 0.597 . . . . 0.0 109.838 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.12 -49.49 77.06 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.553 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.5 t -51.07 -56.25 13.52 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.435 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.51 -41.07 76.06 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.689 -178.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -61.17 -52.95 62.67 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.13 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.602 ' SD ' ' HE3' ' A' ' 29' ' ' MET . 5.0 mpp? -68.4 -25.06 64.86 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.463 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -58.45 -51.42 69.94 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 175.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.531 ' HA ' ' NE2' ' A' ' 52' ' ' GLN . . . -67.32 -32.16 72.95 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.17 -179.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -72.26 -44.66 62.49 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.606 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 47.1 t -77.4 -15.33 59.41 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -175.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.531 ' NE2' ' HA ' ' A' ' 49' ' ' ALA . 10.6 pt20 -83.84 -2.9 57.34 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.028 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -100.91 -178.55 3.79 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -93.27 30.46 1.67 Allowed 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.503 0.668 . . . . 0.0 109.281 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.514 ' HB ' ' SD ' ' A' ' 58' ' ' MET . 6.6 m -56.16 107.53 0.37 Allowed 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.187 -178.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 60.04 25.94 15.23 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 57' ' ' GLN . 34.6 tt0 68.78 21.33 7.77 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.192 0.597 . . . . 0.0 111.046 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.514 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 19.3 ptm -73.73 136.21 43.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.105 0.479 . . . . 0.0 110.52 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -141.36 -31.37 0.58 Allowed 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.921 177.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -132.26 170.63 14.77 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.601 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.496 ' HB ' ' O ' ' A' ' 25' ' ' TYR . 1.6 m -121.56 143.96 39.22 Favored Pre-proline 0 C--N 1.303 -1.424 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.731 -178.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -61.91 142.66 93.87 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 123.359 2.706 . . . . 0.0 113.355 -176.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.1 m -76.16 127.23 32.5 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.439 HD13 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -118.94 130.1 74.22 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.438 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.8 mt -85.15 117.56 30.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.566 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.9 mt -97.21 105.26 17.37 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.315 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.3 t -99.56 99.34 10.2 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.445 HG13 ' HB2' ' A' ' 19' ' ' CYS . 3.1 p -108.55 119.57 58.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.936 -177.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.7 p -127.67 159.62 34.14 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.267 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.92 -0.19 4.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -125.45 8.19 7.73 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 122.374 -0.204 . . . . 0.0 111.543 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 159.17 159.88 10.01 Favored Glycine 0 CA--C 1.51 -0.224 0 C-N-CA 120.062 -1.066 . . . . 0.0 112.759 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 23.8 t -130.46 132.66 64.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-O 121.189 0.519 . . . . 0.0 110.539 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -121.22 141.45 50.85 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.21 -177.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.439 ' HB3' HD13 ' A' ' 64' ' ' ILE . 3.8 m-85 -126.9 111.81 14.58 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.199 -177.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.5 mp -122.46 146.41 27.72 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.923 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -81.23 137.9 35.82 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 176.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.0 1.28 42.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.72 0.295 . . . . 0.0 111.392 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 m -79.83 -53.92 6.33 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.038 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -130.89 7.59 4.74 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.26 0.552 . . . . 0.0 109.966 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? 67.1 85.05 0.15 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.353 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -128.79 127.13 41.36 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.069 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.416 ' N ' HD13 ' A' ' 83' ' ' ILE . 3.7 mp -78.74 92.18 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 177.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.1 mt -67.83 -50.72 57.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 114.92 -1.037 . . . . 0.0 111.213 -176.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -159.93 154.01 23.3 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.108 0.48 . . . . 0.0 111.895 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -145.76 113.06 6.2 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 177.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -135.52 162.97 31.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.15 0.5 . . . . 0.0 112.294 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -72.07 158.54 35.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.989 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.3 tt -60.32 -46.08 95.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-O 120.792 0.33 . . . . 0.0 111.449 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -74.15 3.96 6.32 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -78.37 -17.99 55.71 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.444 ' HA ' HG22 ' A' ' 109' ' ' THR . 21.2 mt -88.18 131.67 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.283 178.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 m -84.8 -41.14 16.39 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.597 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 45.3 t -166.13 164.15 17.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.425 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.27 130.73 29.11 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -139.15 169.23 18.15 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.923 0.392 . . . . 0.0 110.565 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -127.03 157.15 40.36 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.164 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.45 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 10.2 t70 -70.66 124.3 90.66 Favored Pre-proline 0 C--N 1.311 -1.084 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.346 -178.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 18.6 Cg_exo -67.67 -36.86 17.86 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.088 2.525 . . . . 0.0 113.752 -178.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -89.0 -24.68 22.32 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -176.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -126.59 95.74 4.45 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 173.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.521 HD22 ' H ' ' A' ' 102' ' ' LEU . 1.6 pt? -71.11 8.95 0.82 Allowed 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.43 -0.804 . . . . 0.0 113.118 -176.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.6 t -111.68 12.35 21.13 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.438 0.637 . . . . 0.0 109.302 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.7 m -128.37 142.32 51.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.325 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -151.74 165.07 35.56 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.563 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -146.51 151.23 37.03 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.219 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -130.24 137.19 49.91 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.789 177.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.0 mt -100.25 122.45 52.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.9 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.444 HG22 ' HA ' ' A' ' 92' ' ' ILE . 43.4 p -121.45 -168.75 1.74 Allowed 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.503 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.64 131.71 11.81 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 120.852 0.358 . . . . 0.0 110.161 174.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -93.89 123.85 37.52 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.81 -21.66 66.03 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.132 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -80.82 -13.18 59.18 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.973 0.416 . . . . 0.0 110.96 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.3 m -115.1 -21.85 9.8 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.398 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 62.9 t30 62.62 21.59 12.79 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.803 0.841 . . . . 0.0 111.0 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -130.42 169.01 16.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.376 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -95.69 130.37 42.61 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -173.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.469 ' CE2' HD11 ' A' ' 30' ' ' LEU . 5.2 m-85 -100.74 117.4 34.76 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.708 178.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 51.0 t -96.99 103.11 15.0 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -103.26 111.22 23.52 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.253 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.4 p -113.83 139.88 37.18 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.556 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.472 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -152.33 168.02 26.79 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-O 121.226 0.536 . . . . 0.0 111.805 178.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 50.5 p -98.9 149.67 22.69 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.026 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -105.84 159.95 15.62 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 120.629 0.252 . . . . 0.0 110.358 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -73.78 -31.85 63.49 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.183 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -142.47 151.3 41.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.765 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.2 t -60.1 -45.72 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.107 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -63.3 -40.57 97.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.816 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.04 -46.24 90.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.802 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.02 77.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.057 0.456 . . . . 0.0 110.943 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.53 99.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.096 -178.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.06 -36.37 77.58 Favored 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.935 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 31.6 mt -61.08 -45.51 98.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 174.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 37.3 mm -58.78 -42.46 85.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.878 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.4 tt -58.74 -46.71 86.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.265 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.9 m -64.25 -44.45 91.75 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 81.2 mt -58.42 -50.01 75.22 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.73 0.3 . . . . 0.0 110.899 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.85 -44.62 97.83 Favored Glycine 0 C--O 1.241 0.592 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.089 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -59.02 -44.28 91.7 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.42 -46.86 85.63 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.175 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.25 -43.88 98.16 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 111.18 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.21 -41.39 90.22 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.75 -11.82 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 120.965 0.412 . . . . 0.0 111.151 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -67.67 -24.08 65.39 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 120.959 0.409 . . . . 0.0 110.708 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -95.82 5.92 50.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.669 179.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.755 -0.64 . . . . 0.0 109.725 179.884 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 . . . . . 0 N--CA 1.486 1.36 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 66.87 101.24 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.537 -175.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mp -82.84 4.92 23.49 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.036 -176.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.42 ' H ' HD13 ' A' ' 15' ' ' ILE . 3.9 mp -77.58 73.63 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 122.009 0.909 . . . . 0.0 110.299 -179.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.09 -51.47 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.43 -1.259 . . . . 0.0 107.966 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -87.39 -28.84 21.92 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.136 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.1 p -128.68 115.1 17.5 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.047 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.48 ' HB2' HG11 ' A' ' 68' ' ' VAL . 74.9 m -96.09 104.85 16.82 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.286 -179.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -97.04 118.83 34.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.571 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.514 ' CD1' ' HG ' ' A' ' 129' ' ' LEU . 72.4 m-85 -134.16 179.85 6.01 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.983 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -133.81 114.52 13.46 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.0 177.91 4.47 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.39 -178.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.62 ' O ' ' HB2' ' A' ' 122' ' ' PHE . . . -107.36 111.16 23.36 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.528 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.516 ' O ' ' HB ' ' A' ' 61' ' ' VAL . 4.8 t80 -66.65 104.14 1.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.311 -177.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.4 tp -85.99 -56.51 3.44 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.456 ' HA3' ' SD ' ' A' ' 47' ' ' MET . . . -179.53 157.24 20.12 Favored Glycine 0 C--N 1.337 0.611 0 C-N-CA 120.018 -1.087 . . . . 0.0 113.371 177.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.8 m -118.44 116.1 26.01 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.435 ' HE3' ' SD ' ' A' ' 47' ' ' MET . 1.5 mpp? -105.8 138.36 42.13 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.977 0.418 . . . . 0.0 111.752 -176.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.436 ' HG ' ' CE1' ' A' ' 118' ' ' TYR . 4.8 tt -84.43 118.52 24.32 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 mm -114.63 137.12 49.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.201 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -111.06 -35.2 5.98 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.21 0.529 . . . . 0.0 109.794 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -102.67 102.29 12.48 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.093 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -86.45 103.08 14.66 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.726 -177.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -108.17 75.86 1.01 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.174 0.511 . . . . 0.0 110.529 178.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 55.55 -130.55 48.29 Favored Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.332 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.2 p -99.7 9.51 42.98 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.754 0.788 . . . . 0.0 110.073 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.76 -38.67 70.33 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.77 178.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.4 m -60.64 -41.08 94.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.222 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.508 HG21 ' SG ' ' A' ' 119' ' ' CYS . 38.4 p -68.6 -45.64 71.46 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.895 0.378 . . . . 0.0 110.243 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -34.53 77.22 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -57.81 -60.26 3.98 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.363 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.62 -40.76 88.62 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.951 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.6 t -59.96 -56.19 24.75 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.731 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.95 -41.56 74.87 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.746 0.308 . . . . 0.0 111.332 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -58.63 -52.95 63.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.702 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.456 ' SD ' ' HA3' ' A' ' 27' ' ' GLY . 66.1 mtm -70.61 -29.85 66.35 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.865 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.413 ' NH2' HG23 ' A' ' 104' ' ' THR . 55.9 mtt180 -58.62 -48.34 81.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.338 0.589 . . . . 0.0 109.526 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.19 -26.98 62.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.836 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -73.79 -36.77 65.05 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.923 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.1 p -64.78 -29.01 69.97 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.978 0.418 . . . . 0.0 111.208 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -95.74 50.11 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.408 0.623 . . . . 0.0 109.556 177.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -90.95 130.21 36.9 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.69 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.6 t -77.16 -17.99 58.18 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.4 m -84.22 84.72 7.52 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.781 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 58.44 75.57 0.38 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.044 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -51.26 128.12 21.36 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.943 -176.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -73.01 146.55 45.86 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.476 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -80.07 -177.46 6.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.679 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -63.6 149.73 45.74 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.437 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' A' ' 25' ' ' TYR . 26.9 m -79.19 155.38 77.09 Favored Pre-proline 0 C--N 1.307 -1.269 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.775 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.76 146.11 33.31 Favored 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.41 2.073 . . . . 0.0 112.626 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.5 m -81.34 125.9 30.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.258 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.447 HD12 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -115.66 137.62 48.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.226 -178.253 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.443 ' N ' HD13 ' A' ' 65' ' ' ILE . 2.1 mp -79.73 112.03 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.315 0.578 . . . . 0.0 110.574 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.08 97.74 11.12 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.35 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.8 m -108.34 101.13 10.35 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.543 0.687 . . . . 0.0 110.57 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.48 HG11 ' HB2' ' A' ' 19' ' ' CYS . 2.2 p -110.12 115.27 49.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.682 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.0 t -121.3 153.03 38.24 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.278 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.61 -13.46 62.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -103.77 -1.43 27.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.694 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 156.14 158.72 8.98 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.402 -0.904 . . . . 0.0 112.388 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.0 m -118.64 143.13 30.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-O 120.867 0.365 . . . . 0.0 110.688 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -146.19 134.13 21.38 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.53 0.681 . . . . 0.0 110.613 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.447 ' HB3' HD12 ' A' ' 64' ' ' ILE . 9.0 m-85 -122.91 111.12 16.27 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -177.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.4 mp -123.7 153.01 29.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 123.539 0.524 . . . . 0.0 111.665 -174.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.671 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -95.63 153.95 17.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.902 175.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.67 -11.42 20.0 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.8 m -74.2 -53.33 10.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.953 0.406 . . . . 0.0 110.924 -177.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -124.93 5.99 8.01 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.541 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.671 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 58.2 mttp 63.91 29.53 14.49 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.525 -178.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -72.73 123.75 23.95 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.706 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.507 ' H ' HD13 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -80.58 114.2 21.14 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-O 121.215 0.531 . . . . 0.0 110.68 179.018 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.4 mp -64.06 -43.2 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -171.35 148.51 2.61 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.738 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -151.26 117.73 5.7 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.041 0.448 . . . . 0.0 110.567 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -153.15 -174.17 4.84 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.271 -178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -71.95 159.04 34.92 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -45.33 93.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -177.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -75.04 6.68 3.92 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.028 0.442 . . . . 0.0 111.783 -177.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -75.53 -16.54 60.26 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 174.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.18 120.64 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.2 t -77.04 -36.72 55.85 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.742 -176.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 47.3 t -159.39 151.67 21.11 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.086 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.48 120.97 31.04 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.519 ' O ' ' HB2' ' A' ' 105' ' ' PHE . . . -128.63 169.51 14.35 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 120.957 0.408 . . . . 0.0 111.409 -177.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.444 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 16.9 pt20 -147.53 162.22 39.52 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.677 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -74.33 129.12 84.81 Favored Pre-proline 0 C--N 1.321 -0.648 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.77 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -57.94 -30.99 91.6 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.671 2.248 . . . . 0.0 112.719 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -75.64 -28.22 58.68 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -156.83 142.84 17.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.852 0.358 . . . . 0.0 111.612 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.29 -5.54 56.18 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.6 t -89.44 17.14 6.54 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.419 0.628 . . . . 0.0 110.503 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.413 HG23 ' NH2' ' A' ' 48' ' ' ARG . 1.5 t -149.52 121.16 8.03 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.182 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 34.0 p90 -149.85 175.22 11.82 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 120.401 -0.52 . . . . 0.0 112.325 -175.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -152.83 140.82 20.24 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.945 -177.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -121.14 142.13 50.16 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-O 120.973 0.416 . . . . 0.0 110.039 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 56.3 mt -100.22 120.91 50.31 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.47 140.83 35.22 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.363 -175.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 tptm -87.93 75.1 8.86 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -82.67 78.3 9.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.578 0.704 . . . . 0.0 109.341 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.7 tp -62.07 -30.47 71.01 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.424 -174.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -17.69 61.87 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.63 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.9 m -97.43 -5.86 35.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.949 0.404 . . . . 0.0 110.069 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 64.78 13.38 8.41 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.669 177.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -140.64 170.25 16.13 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.724 0.297 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -102.35 126.09 49.26 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.983 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.436 ' CE1' ' HG ' ' A' ' 30' ' ' LEU . 23.9 m-85 -104.59 126.23 51.48 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.049 0.452 . . . . 0.0 111.32 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.508 ' SG ' HG21 ' A' ' 40' ' ' THR . 33.2 t -101.63 100.55 10.96 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.507 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -89.75 104.13 16.71 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.2 p -109.1 130.03 62.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.244 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.62 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 22.9 p90 -153.61 168.2 26.98 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 121.204 0.526 . . . . 0.0 111.351 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.418 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 50.6 p -107.45 170.61 7.87 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.324 -177.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.489 ' CB ' ' HB2' ' A' ' 130' ' ' ALA . . . -129.5 150.39 50.86 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -77.54 -26.1 50.73 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -122.7 131.0 53.6 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.57 -52.34 62.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.487 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -62.4 -37.18 84.77 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.448 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.514 ' HG ' ' CD1' ' A' ' 21' ' ' TYR . 8.2 tt -56.7 -51.46 68.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.735 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.489 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . . . -64.01 -45.73 87.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.988 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.39 79.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.144 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -70.98 -34.04 71.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.892 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.3 -44.97 97.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 30.3 mm -58.77 -43.11 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.287 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.46 -46.43 90.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.545 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 62.3 m -58.14 -52.39 65.77 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.746 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.23 -51.75 67.66 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.404 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.56 -46.84 92.66 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.951 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -64.9 -42.58 94.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.763 0.316 . . . . 0.0 110.826 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.2 86.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -76.34 -40.43 51.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.96 -40.99 95.83 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.868 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.7 p -65.82 -31.62 54.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -82.18 -15.26 53.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.226 0.536 . . . . 0.0 110.641 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -84.39 -55.59 4.08 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.689 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 . . . . . 0 C--O 1.243 0.715 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.393 -179.777 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 121.061 0.458 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.35 85.99 6.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.292 0.567 . . . . 0.0 110.835 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.0 tp -127.94 157.94 39.18 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.923 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.6 mm -70.86 77.59 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 121.418 0.628 . . . . 0.0 109.932 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 178.58 -41.95 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.385 -1.279 . . . . 0.0 108.274 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -107.5 -3.79 19.09 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.956 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.7 p -152.84 149.87 28.74 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.553 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.675 ' SG ' HG21 ' A' ' 136' ' ' THR . 19.4 p -133.49 130.37 38.46 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 120.848 0.356 . . . . 0.0 110.377 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -106.76 95.82 6.0 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.508 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -116.18 138.86 50.91 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.003 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -90.4 121.94 32.82 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.487 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.74 173.6 6.65 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.812 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.468 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . . . -98.82 120.52 39.39 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.33 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.464 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 5.7 t80 -72.35 95.6 1.76 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.962 0.41 . . . . 0.0 109.918 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.3 tp -77.03 -56.92 4.16 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.51 165.79 37.91 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 119.662 -1.256 . . . . 0.0 113.529 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.543 ' HA ' ' O ' ' A' ' 119' ' ' CYS . 28.7 t -144.85 109.65 5.02 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.402 ' HE2' ' HB1' ' A' ' 43' ' ' ALA . 2.4 mpp? -107.7 157.7 17.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.708 -175.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.423 HD23 ' CE1' ' A' ' 118' ' ' TYR . 97.2 mt -96.31 105.45 17.52 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.73 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.1 mm -94.5 117.45 38.24 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.91 -76.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -98.84 108.19 20.81 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -85.09 118.57 24.73 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.923 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -117.21 83.82 2.05 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.616 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.2 -153.24 35.56 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.396 -0.82 . . . . 0.0 114.635 176.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 t -76.68 -2.47 33.0 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.258 0.623 . . . . 0.0 110.955 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -61.85 -50.09 73.65 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.638 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.9 t -74.94 -27.76 60.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.042 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.2 p -67.05 -44.82 79.21 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 120.254 -0.579 . . . . 0.0 109.826 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -69.68 -30.65 68.36 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.724 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.42 -53.2 60.87 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.234 0.54 . . . . 0.0 109.816 175.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.402 ' HB1' ' HE2' ' A' ' 29' ' ' MET . . . -63.26 -46.37 87.17 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.096 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.5 t -59.19 -59.5 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.466 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.69 82.59 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.523 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -58.17 -55.12 39.07 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.931 0.395 . . . . 0.0 111.179 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 49.1 mtm -70.73 -37.41 73.49 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.849 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -63.07 -34.08 76.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.816 0.341 . . . . 0.0 110.485 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.33 -33.7 58.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.945 0.402 . . . . 0.0 110.548 176.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -77.05 -27.03 54.26 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.631 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.8 t -68.18 -37.37 80.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.89 0.376 . . . . 0.0 110.604 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -81.5 54.83 2.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.192 0.52 . . . . 0.0 111.546 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -59.55 -49.26 78.44 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.256 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -153.24 143.52 22.39 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.598 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.2 t -53.15 130.52 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 52.49 4.05 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.805 1.642 . . . . 0.0 114.848 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -88.98 -18.63 27.03 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 174.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 ptp -65.23 124.31 21.84 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.496 -1.229 . . . . 0.0 108.744 175.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -95.73 161.13 14.15 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 120.96 0.41 . . . . 0.0 111.6 -175.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.49 144.77 53.11 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.352 178.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 24' ' ' ALA . 27.3 m -95.3 160.71 30.09 Favored Pre-proline 0 C--N 1.304 -1.374 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.657 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -49.04 134.24 29.37 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.931 2.421 . . . . 0.0 112.578 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.8 m -84.72 131.64 34.55 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.543 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.52 HD13 ' HB3' ' A' ' 75' ' ' PHE . 1.3 tt -116.41 135.55 56.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.104 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.57 100.05 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.2 mt -83.27 94.77 7.98 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 p -102.72 97.95 8.05 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.488 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.402 HG11 ' SG ' ' A' ' 19' ' ' CYS . 1.4 p -106.3 127.21 61.74 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.905 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.2 m -118.52 159.89 22.72 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.309 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.75 -12.93 39.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.65 0.262 . . . . 0.0 111.535 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -111.68 4.82 18.84 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.755 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 156.42 166.3 16.01 Favored Glycine 0 C--O 1.22 -0.761 0 C-N-CA 119.837 -1.173 . . . . 0.0 112.295 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.4 p -131.49 129.16 61.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.265 0.555 . . . . 0.0 111.293 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -118.52 135.51 54.36 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.989 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.52 ' HB3' HD13 ' A' ' 64' ' ' ILE . 4.3 m-85 -117.98 112.46 20.3 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.17 -176.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.444 HD11 ' N ' ' A' ' 76' ' ' ILE . 3.5 mp -124.28 149.3 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-O 120.638 0.256 . . . . 0.0 110.983 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.629 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -86.9 149.34 24.87 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.903 0.481 . . . . 0.0 110.796 178.206 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.4 -17.28 20.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 m -69.19 -54.23 15.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.877 0.37 . . . . 0.0 111.532 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -125.85 4.36 7.36 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.234 0.54 . . . . 0.0 110.091 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 13.5 mptt 66.51 38.06 4.33 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.645 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -86.88 130.44 34.46 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.409 HD11 ' N ' ' A' ' 83' ' ' ILE . 3.3 mp -75.32 114.2 15.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-O 120.64 0.257 . . . . 0.0 110.408 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.2 mp -68.74 -46.35 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.246 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -170.76 171.25 6.23 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.366 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -153.16 120.62 5.92 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -139.72 153.14 47.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.078 0.465 . . . . 0.0 111.635 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.07 147.38 38.7 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 175.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.6 tp -59.33 -39.28 78.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -175.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -70.32 -7.51 43.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.511 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -96.15 -2.28 46.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.975 0.417 . . . . 0.0 111.035 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 28.8 mt -74.61 111.65 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.814 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.1 m -55.62 -51.45 67.14 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.538 -177.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 48.9 t -169.36 160.43 9.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.427 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.9 132.19 23.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.355 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -141.84 164.98 28.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.729 0.3 . . . . 0.0 110.927 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.406 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 29.8 pt20 -128.71 162.32 27.64 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.75 123.35 83.97 Favored Pre-proline 0 C--N 1.317 -0.84 0 CA-C-O 120.882 0.372 . . . . 0.0 111.364 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -63.16 -29.15 73.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.589 2.193 . . . . 0.0 111.676 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -88.24 -6.8 57.6 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.699 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -154.34 102.61 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.954 0.407 . . . . 0.0 110.505 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.1 mt -80.43 13.98 2.21 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.527 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.1 t -118.09 13.36 13.84 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.2 m -135.05 134.19 40.13 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.891 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.406 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 32.1 p90 -138.55 149.16 45.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.172 0.51 . . . . 0.0 111.896 -177.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -139.32 124.25 18.72 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.184 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -133.9 164.16 27.89 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.982 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.31 137.64 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.921 0 CA-C-O 121.204 0.526 . . . . 0.0 112.132 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 118' ' ' TYR . 50.6 p -139.79 123.06 16.99 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.338 -1.301 . . . . 0.0 109.215 178.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.86 133.82 34.53 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.299 -0.561 . . . . 0.0 111.113 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -115.92 141.21 48.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.64 -177.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.0 tt -59.27 -34.6 72.46 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.545 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.69 -7.68 57.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.077 0.465 . . . . 0.0 110.858 -177.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.404 ' HB2' ' CE2' ' A' ' 118' ' ' TYR . 33.0 t -98.78 -43.63 6.7 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.542 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 19.1 m120 70.52 5.24 5.3 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.403 -177.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -129.42 -179.98 5.46 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.084 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -98.11 114.4 26.58 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.384 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 109' ' ' THR . 10.6 m-85 -78.24 108.76 11.8 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.657 178.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 28' ' ' SER . 47.2 t -88.24 92.72 9.27 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -89.51 104.83 17.35 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.675 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.7 p -114.51 115.08 48.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 CA-C-O 121.436 0.636 . . . . 0.0 109.964 178.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 16.6 m-85 -128.71 162.18 27.97 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.588 -177.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.2 t -122.03 138.5 54.41 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.111 0.481 . . . . 0.0 110.579 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.17 159.62 18.8 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.508 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -85.6 -10.42 55.88 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 120.973 0.416 . . . . 0.0 110.208 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -144.42 146.53 32.54 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.545 178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 72.3 t -61.77 -46.69 95.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.898 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -63.7 -32.75 74.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.182 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -61.36 -51.03 70.52 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.04 98.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.556 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.3 -45.2 88.41 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.144 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -60.43 -47.92 84.01 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.671 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 79.2 mt -54.84 -55.43 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.121 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 50.8 mm -62.12 -34.5 63.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.075 0.464 . . . . 0.0 110.876 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.78 -54.32 37.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.752 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.675 HG21 ' SG ' ' A' ' 19' ' ' CYS . 9.5 t -68.77 -31.46 70.5 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.606 -178.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 51.3 mt -61.95 -52.03 65.71 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 175.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -61.64 -45.41 96.34 Favored Glycine 0 C--O 1.217 -0.908 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.746 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -56.87 -48.75 77.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.877 0.37 . . . . 0.0 110.921 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.57 84.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.358 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -75.7 -35.34 60.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.031 0.443 . . . . 0.0 110.565 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -72.17 -43.46 64.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.872 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.07 -24.39 35.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-O 120.996 0.427 . . . . 0.0 111.101 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -78.01 -11.42 59.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -115.27 -24.29 8.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.445 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 . . . . . 0 C--O 1.244 0.788 0 CA-C-O 118.532 -0.746 . . . . 0.0 110.382 -179.784 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.952 0.406 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp 61.35 43.57 10.46 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.786 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.7 114.43 6.31 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.1 pt -62.8 -22.41 30.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -176.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.67 -30.31 7.39 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -93.94 -5.07 48.61 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.951 0.405 . . . . 0.0 111.8 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.5 m -150.71 169.58 21.27 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.469 ' HB2' HG11 ' A' ' 68' ' ' VAL . 89.2 m -118.53 117.73 29.79 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -115.5 105.59 12.98 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.585 -177.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.443 ' HB3' HD23 ' A' ' 129' ' ' LEU . 70.2 m-85 -124.09 151.79 43.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -176.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -104.46 134.1 48.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.48 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.29 170.67 15.52 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HB3' ' OG1' ' A' ' 123' ' ' THR . . . -97.95 125.28 42.79 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 178.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.576 ' O ' HG21 ' A' ' 61' ' ' VAL . 36.7 t80 -70.78 96.17 1.22 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.697 -177.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.408 ' HB3' ' O ' ' A' ' 121' ' ' VAL . 24.9 tp -78.26 -51.6 9.91 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 167.97 158.7 12.39 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 119.443 -1.361 . . . . 0.0 113.734 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.4 p -112.61 109.27 18.71 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.431 ' HE3' ' SD ' ' A' ' 47' ' ' MET . 1.1 mpp? -104.41 140.07 38.46 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.267 -175.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' A' ' 116' ' ' HIS . 36.6 tp -96.69 125.74 41.37 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.6 mm -105.58 126.01 60.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.746 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -62.93 -58.73 6.36 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.542 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -117.69 105.56 12.14 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.121 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.449 HD22 HD13 ' A' ' 108' ' ' ILE . 0.8 OUTLIER -75.92 128.52 35.26 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.412 -177.653 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.406 ' N ' HD12 ' A' ' 34' ' ' LEU . 43.9 ptt85 -141.9 93.97 2.62 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.341 0.591 . . . . 0.0 111.885 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.32 -163.32 17.32 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-N 115.346 -0.843 . . . . 0.0 114.441 176.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.3 p -80.62 -1.77 43.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.314 0.578 . . . . 0.0 111.138 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -73.63 -20.81 60.48 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.1 m -71.39 -40.99 70.19 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.585 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 21.6 p -69.07 -40.16 78.65 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.956 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -58.15 -45.64 87.07 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.846 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -57.28 -50.64 72.28 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.46 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.77 -54.98 26.73 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.759 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 82.4 m -51.6 -52.73 45.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.167 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.67 89.64 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.991 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -56.73 -60.12 4.02 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.481 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.431 ' SD ' ' HE3' ' A' ' 29' ' ' MET . 4.4 mpp? -69.76 -38.12 76.64 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -176.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -66.25 -37.71 86.15 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.591 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.96 -41.91 77.35 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.004 0.431 . . . . 0.0 109.892 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -62.43 -37.0 84.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.521 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.5 t -66.51 -28.76 68.81 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.57 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -103.74 14.48 30.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.311 0.577 . . . . 0.0 110.724 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -117.67 173.77 6.54 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.2 t -73.06 98.11 2.48 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 176.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.0 t -122.49 172.61 8.24 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.31 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' C ' ' H ' ' A' ' 58' ' ' MET . 10.0 pt-20 -146.77 169.29 19.39 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.51 179.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 72.21 -10.85 0.85 Allowed 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.342 0.657 . . . . 0.0 111.472 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.403 ' H ' ' C ' ' A' ' 56' ' ' GLU . 50.2 ttm -73.28 116.83 14.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 121.201 0.524 . . . . 0.0 110.079 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.05 169.17 9.81 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.606 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -63.23 125.9 25.63 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.245 0.545 . . . . 0.0 111.454 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.576 HG21 ' O ' ' A' ' 25' ' ' TYR . 7.5 p -63.94 125.58 88.2 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.121 -178.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -88.01 163.1 7.35 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.748 2.299 . . . . 0.0 111.791 176.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.5 m -94.59 129.68 41.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.951 0.405 . . . . 0.0 110.86 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.47 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -111.69 136.27 48.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.069 179.046 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.8 mt -104.77 113.75 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 176.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.517 HD23 ' CD1' ' A' ' 75' ' ' PHE . 4.4 mp -92.5 105.92 18.0 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.283 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.3 m -96.72 95.68 8.08 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.144 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.469 HG11 ' HB2' ' A' ' 19' ' ' CYS . 3.1 p -106.87 130.05 59.48 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.019 -176.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 t -124.27 156.78 36.3 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.61 -13.7 61.45 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -113.88 7.92 17.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.727 0.299 . . . . 0.0 111.494 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.43 152.19 7.01 Favored Glycine 0 C--O 1.219 -0.801 0 C-N-CA 120.065 -1.064 . . . . 0.0 111.824 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.7 p -135.14 130.18 51.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-O 121.069 0.461 . . . . 0.0 111.398 -176.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -130.64 128.19 40.46 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.52 0.676 . . . . 0.0 111.395 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.517 ' CD1' HD23 ' A' ' 66' ' ' LEU . 22.2 m-85 -104.0 114.13 28.17 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.554 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.1 mt -120.1 150.39 22.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.406 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -72.01 149.72 44.69 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.18 -25.42 29.56 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -175.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 m -94.53 -55.17 3.24 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -114.18 20.55 15.5 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.877 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt 48.4 31.5 2.8 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.856 0.862 . . . . 0.0 112.39 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -55.41 125.81 22.44 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.02 177.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 83' ' ' ILE . 3.6 mp -72.76 100.83 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.084 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.1 mt -82.92 -60.23 2.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -177.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.59 113.73 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.894 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.13 121.08 42.7 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.935 176.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -150.42 -171.52 3.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.296 0.57 . . . . 0.0 111.505 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.88 154.0 21.16 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.14 177.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.4 tp -61.37 -25.08 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 120.817 0.341 . . . . 0.0 111.628 -176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -65.37 -24.67 67.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.145 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -84.86 -10.04 57.54 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 120.815 0.34 . . . . 0.0 111.296 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 30.1 mt -82.94 112.23 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 176.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.7 t -79.3 -36.88 38.94 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.386 -175.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.5 t -157.53 162.56 38.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.814 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.01 107.24 4.54 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.15 -179.14 4.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.324 0.583 . . . . 0.0 111.9 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 6.6 pt20 -141.27 163.92 31.65 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.52 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.37 139.96 92.41 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-O 120.523 0.201 . . . . 0.0 110.766 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -53.22 -48.13 23.75 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.212 2.608 . . . . 0.0 113.891 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -103.15 -28.36 11.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -175.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -103.64 104.87 14.97 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.056 0.455 . . . . 0.0 110.558 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -82.8 7.63 14.6 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.245 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.7 t -104.55 3.19 31.59 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.1 m -119.72 124.0 45.15 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.909 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 122' ' ' PHE . 44.4 p90 -124.74 153.74 41.94 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.765 0.316 . . . . 0.0 110.993 -178.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 120' ' ' HIS . . . -147.53 118.53 7.69 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.567 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -109.3 148.44 31.03 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.239 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.449 HD13 HD22 ' A' ' 34' ' ' LEU . 74.7 mt -110.26 126.57 67.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.002 -177.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.8 p -116.96 140.72 49.14 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.368 178.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -85.86 98.29 10.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.479 0.657 . . . . 0.0 109.924 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -89.41 98.79 11.97 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.106 -175.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.2 -23.29 67.26 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.818 -175.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -80.18 -13.16 59.47 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.69 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.4 p -111.44 -4.77 14.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.94 0.4 . . . . 0.0 110.308 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 66.8 t30 67.82 6.84 5.33 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.753 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.4 ' HB2' HD12 ' A' ' 30' ' ' LEU . 97.3 m-70 -136.02 -171.58 2.91 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 121.947 -0.47 . . . . 0.0 111.0 -178.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -104.97 123.81 48.43 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.998 0.428 . . . . 0.0 111.641 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -93.25 120.27 33.35 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.063 177.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 24.5 p -102.01 121.24 41.8 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 106' ' ' ALA . 28.8 m170 -102.05 108.21 19.57 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.305 -177.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 7.6 p -101.61 122.36 53.67 Favored 'Isoleucine or valine' 0 C--O 1.247 0.967 0 CA-C-O 121.24 0.543 . . . . 0.0 110.233 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 22.7 m-85 -130.13 142.85 50.55 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.824 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.402 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 75.0 p -100.43 116.42 32.34 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.57 164.36 25.43 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 120.815 0.341 . . . . 0.0 110.497 -178.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -95.86 13.61 26.16 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.361 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -170.81 142.08 1.88 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.769 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.94 -53.79 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.954 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -63.22 -35.44 80.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.944 0.402 . . . . 0.0 110.554 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.443 HD23 ' HB3' ' A' ' 21' ' ' TYR . 5.2 tt -60.01 -48.11 83.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.498 178.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.06 -44.34 96.1 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.392 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.97 -40.21 84.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.553 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -61.8 -43.98 97.78 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.209 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 68.6 mt -59.69 -51.23 75.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.266 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.426 HD12 ' HB2' ' A' ' 105' ' ' PHE . 33.2 mm -62.48 -43.47 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.586 ' O ' ' HG2' ' A' ' 139' ' ' GLN . 9.9 tt -58.05 -47.75 82.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 32.5 m -63.61 -45.25 91.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 99.1 mt -57.31 -41.04 79.14 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.04 0.448 . . . . 0.0 109.793 176.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -64.52 -38.43 95.73 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.062 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 29.3 mm-40 -65.49 -42.85 91.72 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.989 0.423 . . . . 0.0 110.228 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.62 88.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.823 177.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.45 -34.61 78.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.955 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.65 -48.21 67.36 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.936 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.7 p -69.81 -22.2 24.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-O 120.986 0.422 . . . . 0.0 110.949 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.92 -13.23 59.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.009 0.433 . . . . 0.0 110.861 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -91.05 -30.16 16.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.322 0.582 . . . . 0.0 110.031 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.472 -178.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.788 0.328 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -97.61 100.46 11.86 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.4 mt -55.69 -76.07 0.03 OUTLIER 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.366 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.6 mt -75.48 92.1 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.589 0 CA-C-O 121.234 0.54 . . . . 0.0 110.028 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 168.38 -67.48 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.673 0 CA-C-N 114.306 -1.316 . . . . 0.0 108.431 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -83.61 -24.41 31.47 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.87 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.5 m -121.36 153.75 37.37 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.99 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.9 m -111.48 105.28 13.83 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 176.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -108.61 114.57 28.49 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.754 -175.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -136.86 174.98 10.03 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -108.47 120.02 41.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.002 0.43 . . . . 0.0 110.529 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.09 176.05 5.18 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.562 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.473 ' HB3' ' OG1' ' A' ' 123' ' ' THR . . . -116.42 121.54 42.18 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -71.1 96.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.077 -176.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.475 ' HB3' ' O ' ' A' ' 121' ' ' VAL . 32.3 tp -78.64 -62.52 1.66 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.257 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.46 165.28 36.08 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 119.617 -1.278 . . . . 0.0 113.548 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.51 ' C ' ' HE1' ' A' ' 29' ' ' MET . 2.4 p -128.4 103.39 7.12 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 122.73 0.412 . . . . 0.0 110.259 178.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.51 ' HE1' ' C ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -92.81 158.29 15.96 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 120.905 0.383 . . . . 0.0 111.324 -177.669 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.5 mt -104.55 117.13 33.38 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.8 mm -96.24 131.0 44.12 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.07 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -82.91 -69.0 0.66 Allowed 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -92.44 107.84 19.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.782 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.427 HD22 HD13 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -89.35 111.62 22.52 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -178.285 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.49 109.33 5.46 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.272 0.558 . . . . 0.0 111.769 -179.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.71 -144.61 30.19 Favored Glycine 0 C--N 1.331 0.259 0 CA-C-N 115.215 -0.902 . . . . 0.0 113.463 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.4 t -97.17 9.24 42.71 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.095 0.474 . . . . 0.0 110.243 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -68.93 -39.27 79.7 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.08 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.0 m -62.5 -44.55 96.1 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.4 p -68.52 -42.8 78.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.441 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -63.92 -35.66 81.4 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.969 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.97 -60.06 4.43 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.185 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.57 84.76 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.083 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.9 t -58.49 -60.82 3.2 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.403 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.27 86.44 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -176.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -61.32 -52.05 66.31 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.252 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 48.1 mtm -72.93 -38.74 66.72 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.465 -0.494 . . . . 0.0 112.117 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -57.01 -46.62 82.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.796 0.332 . . . . 0.0 110.508 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.92 -47.85 56.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.54 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -57.27 -38.85 74.53 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.637 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.7 t -63.25 -30.27 71.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.464 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -102.18 -2.15 29.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.745 0.307 . . . . 0.0 111.543 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -97.95 -63.69 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 176.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.5 p -87.99 87.67 7.41 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.3 p -102.76 154.36 19.25 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.331 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -140.47 -155.27 0.57 Allowed 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -71.55 2.87 4.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.081 0.467 . . . . 0.0 110.811 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 49.2 ttp -56.24 125.65 22.73 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.833 178.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -88.05 -54.07 4.41 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -167.94 160.94 12.6 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.442 -0.799 . . . . 0.0 108.879 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.423 HG22 ' HB2' ' A' ' 24' ' ' ALA . 32.5 m -71.58 155.59 92.33 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.561 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.35 144.48 91.2 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.091 2.528 . . . . 0.0 112.974 -178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.1 m -84.01 135.74 34.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.107 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.433 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -129.31 128.8 66.92 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.763 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.78 109.42 9.34 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.587 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.99 99.17 11.95 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.296 -178.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.8 t -112.55 116.14 29.75 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 121.382 0.611 . . . . 0.0 110.052 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 p -123.36 134.31 66.66 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.529 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.7 p -145.14 161.81 38.58 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.38 -1.66 13.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.079 0.466 . . . . 0.0 110.693 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -105.25 -9.09 17.89 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.618 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 154.03 171.11 20.72 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.234 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.5 m -124.47 136.52 60.29 Favored 'Isoleucine or valine' 0 C--O 1.248 0.999 0 CA-C-O 121.295 0.569 . . . . 0.0 111.591 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -122.93 122.54 38.82 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.062 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.433 ' HB3' HD11 ' A' ' 64' ' ' ILE . 22.5 m-85 -123.92 98.86 5.99 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.3 mp -117.46 144.65 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.976 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.708 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 7.8 t70 -74.76 143.23 44.15 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.554 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.42 -19.87 16.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.913 0.387 . . . . 0.0 110.684 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -63.73 -50.7 68.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.059 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -139.1 23.98 2.56 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.708 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 64.1 pttt 52.87 32.44 12.46 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.363 1.065 . . . . 0.0 112.236 178.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -65.47 123.64 20.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.242 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.8 mt -72.83 101.11 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.9 mt -81.52 -65.34 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.623 -176.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.45 141.22 10.42 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.41 -0.516 . . . . 0.0 112.235 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -140.38 121.25 14.49 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -147.31 171.95 14.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.316 0.579 . . . . 0.0 112.184 -175.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -66.19 145.3 55.94 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.869 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.4 tt -63.25 -31.17 51.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.168 0.509 . . . . 0.0 110.62 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -68.86 -8.58 45.16 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.384 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -16.24 57.72 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.064 0.459 . . . . 0.0 109.847 178.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.5 mt -82.32 138.72 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.867 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.5 m -92.6 -42.79 9.47 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.522 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.7 t -164.47 170.47 15.89 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.814 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.28 121.4 16.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.211 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.58 179.45 5.93 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.435 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -148.65 173.92 12.7 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.44 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 11.1 t70 -70.94 131.36 87.44 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 31.6 Cg_exo -58.94 -27.13 83.77 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 123.074 2.516 . . . . 0.0 114.199 -176.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -115.6 -34.0 5.02 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.371 -0.532 . . . . 0.0 112.081 -178.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -102.13 96.19 6.83 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-O 121.22 0.533 . . . . 0.0 109.959 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -75.05 12.34 0.91 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.532 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.4 t -104.71 12.06 33.28 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 m -130.14 123.06 29.45 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.826 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -121.79 145.96 47.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.005 0.431 . . . . 0.0 110.826 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 121' ' ' VAL . . . -138.74 111.97 8.03 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.724 -178.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -103.86 144.31 31.67 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 120.961 0.41 . . . . 0.0 110.225 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.427 HD13 HD22 ' A' ' 34' ' ' LEU . 61.1 mt -106.1 125.3 61.71 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.191 -178.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.9 p -114.17 149.49 35.62 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 123.676 0.61 . . . . 0.0 110.569 178.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -107.11 99.34 8.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.25 0.548 . . . . 0.0 110.815 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -100.81 97.67 8.26 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.94 -178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -60.23 -19.51 54.85 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.73 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -66.96 -36.4 82.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.547 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.2 t -98.09 -12.07 22.22 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.263 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 63.04 24.17 14.37 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.757 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -144.12 155.93 44.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.667 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -84.28 130.48 34.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.475 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -93.78 125.2 38.26 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.721 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 54.0 t -104.52 96.75 6.81 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -91.92 103.99 16.46 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.475 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 2.4 p -110.79 119.55 59.72 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.578 -178.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -126.34 156.93 39.68 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.82 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.473 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 40.2 p -102.93 164.47 11.6 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -121.46 160.02 25.04 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 120.8 0.333 . . . . 0.0 110.505 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -87.52 -11.81 47.72 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.698 178.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -144.03 133.26 23.07 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.358 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.62 -50.56 79.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.645 -178.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.58 -37.43 78.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.554 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.12 -50.93 71.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.053 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.41 -44.22 97.51 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.839 0.352 . . . . 0.0 110.959 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.23 76.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.395 178.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.59 -39.63 88.51 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.613 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 70.0 mt -62.12 -47.17 94.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.098 177.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 40.5 mm -60.35 -43.07 92.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 121.136 0.493 . . . . 0.0 110.414 177.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.77 -50.66 72.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.716 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 56.1 m -60.16 -50.64 72.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.284 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 69.0 mt -54.91 -47.81 73.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.656 0.265 . . . . 0.0 111.01 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.05 -53.28 47.04 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.315 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -60.88 -49.39 77.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 111.257 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.7 93.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.897 -177.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -71.13 -32.11 68.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.794 0.331 . . . . 0.0 110.865 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -71.72 -45.34 62.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.623 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.458 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 7.5 p -69.63 -22.6 25.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 121.047 0.451 . . . . 0.0 110.762 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.85 -14.82 58.38 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.209 0.528 . . . . 0.0 110.209 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -84.5 -32.74 23.79 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.75 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.596 -0.716 . . . . 0.0 110.985 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 121.05 0.452 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -145.63 -69.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.69 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.9 mt -102.35 115.1 29.88 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.3 mt -43.58 -41.88 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -173.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.45 -23.32 13.18 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -174.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -99.26 -2.66 36.0 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.919 0.39 . . . . 0.0 111.444 -176.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 39.6 p -162.75 123.4 2.42 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.741 179.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.411 ' SG ' HG23 ' A' ' 136' ' ' THR . 27.7 p -148.14 158.71 44.23 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 120.76 0.314 . . . . 0.0 111.084 -178.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -121.18 105.27 10.43 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -118.23 133.22 56.08 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 120.767 0.318 . . . . 0.0 111.091 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -79.67 111.5 16.03 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 121.145 0.498 . . . . 0.0 110.931 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.24 164.97 11.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.478 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.47 ' HB3' ' OG1' ' A' ' 123' ' ' THR . . . -99.89 126.13 45.98 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.466 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 5.4 t80 -72.37 100.74 2.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -177.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.0 tp -84.29 -57.4 3.18 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.56 145.13 6.18 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 119.257 -1.449 . . . . 0.0 113.894 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -106.23 108.73 20.39 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 175.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.631 ' HE1' ' SD ' ' A' ' 47' ' ' MET . 1.7 tpp -110.79 139.51 46.02 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.028 0.442 . . . . 0.0 111.737 -174.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -92.19 117.19 29.63 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.748 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mm -106.73 164.31 4.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -80.34 -141.48 0.04 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -77.67 75.86 4.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.426 0.632 . . . . 0.0 111.004 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' HB3' ' OG ' ' A' ' 39' ' ' SER . 1.6 mm? -107.83 114.63 28.72 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.88 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -117.64 29.87 7.6 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.102 -174.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -146.01 -179.75 22.44 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.735 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.0 p -75.72 -3.28 33.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.226 0.536 . . . . 0.0 111.171 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.28 -38.63 74.23 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.495 ' OG ' ' HB3' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -65.8 -48.16 72.7 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.641 -179.151 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.2 p -61.52 -45.98 91.9 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.8 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -64.48 -43.03 95.47 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.347 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -64.0 -57.04 10.88 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.24 -177.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.67 -51.84 68.07 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.38 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.5 t -57.94 -42.35 84.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.494 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.34 95.01 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.877 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -56.88 -60.53 3.43 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.6 178.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.631 ' SD ' ' HE1' ' A' ' 29' ' ' MET . 5.1 mpp? -64.87 -39.44 93.55 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.986 -178.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.2 ttm-85 -56.16 -40.78 74.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.801 0.334 . . . . 0.0 111.138 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.81 -27.29 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.41 ' C ' ' H ' ' A' ' 52' ' ' GLN . 66.7 t30 -93.47 -4.52 51.05 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.505 ' SG ' ' HE3' ' A' ' 58' ' ' MET . 30.9 p -74.4 20.21 0.12 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.41 ' H ' ' C ' ' A' ' 50' ' ' ASN . 17.8 pt20 -90.27 -14.19 33.8 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 120.799 0.333 . . . . 0.0 110.724 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -161.27 147.63 14.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.495 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.8 t 62.34 32.26 17.01 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.63 177.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.467 ' OG1' ' HA ' ' A' ' 51' ' ' CYS . 1.3 m -114.59 30.77 7.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.928 0.394 . . . . 0.0 110.109 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.29 -152.12 0.4 Allowed 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -178.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -75.27 84.24 2.43 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 174.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.505 ' HE3' ' SG ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -59.61 -43.37 93.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.987 -175.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -78.35 8.14 5.49 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.067 -177.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -162.22 59.83 0.23 Allowed 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.324 0.583 . . . . 0.0 109.854 176.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.8 m -69.62 155.59 93.23 Favored Pre-proline 0 C--O 1.244 0.766 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.681 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -53.46 129.56 34.33 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.571 2.18 . . . . 0.0 111.64 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.2 m -82.9 123.89 29.82 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.503 HD12 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -109.1 121.72 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.114 -179.002 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 54.8 mt -75.88 105.8 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.285 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.84 91.51 3.54 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.836 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.2 m -99.51 96.65 7.82 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-O 121.678 0.752 . . . . 0.0 111.133 -177.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.6 p -98.56 124.38 51.68 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.9 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.6 t -129.32 171.93 12.0 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.227 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.34 104.97 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.072 -177.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.7 mttp 69.9 0.9 3.23 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.952 0.901 . . . . 0.0 112.809 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -143.14 117.68 1.14 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.162 -1.018 . . . . 0.0 112.359 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.3 t -113.91 131.49 65.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-O 121.099 0.476 . . . . 0.0 110.487 -179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.41 135.34 51.29 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.558 0.694 . . . . 0.0 111.085 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.503 ' HB3' HD12 ' A' ' 64' ' ' ILE . 12.7 m-85 -110.82 117.53 33.66 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.551 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.2 mt -124.37 154.13 31.36 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.934 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.427 -175.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.668 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 27.5 t70 -80.47 150.71 29.6 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.02 -43.44 13.13 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.8 m -77.87 -49.84 13.44 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -175.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -91.3 -17.66 25.58 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 121.023 0.44 . . . . 0.0 110.316 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.668 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 58.2 mttm 61.47 23.57 13.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.055 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -74.71 138.81 43.02 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.546 -1.207 . . . . 0.0 109.351 178.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 9.7 tp -72.7 128.76 35.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 42.3 mm -85.65 -55.24 6.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -175.34 151.89 1.31 Allowed 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.375 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -128.53 133.38 48.4 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -147.78 164.65 32.96 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.862 0.363 . . . . 0.0 110.67 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -88.16 165.27 15.21 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.052 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.3 mm -59.75 -30.4 44.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.02 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -63.41 -18.75 64.04 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.504 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 109' ' ' THR . 19.8 m120 -84.9 -25.83 27.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.782 0.325 . . . . 0.0 110.501 178.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 54.2 mt -89.39 107.19 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.2 t -102.04 -34.09 9.46 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.484 -177.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 33.6 m -127.69 110.45 12.67 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.967 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.71 97.67 7.36 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.0 -176.62 3.31 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.874 0.369 . . . . 0.0 110.551 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.482 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 5.1 pm0 -134.19 172.93 12.17 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.122 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -63.52 139.33 97.58 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.628 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -56.53 -39.52 90.73 Favored 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 123.434 2.756 . . . . 0.0 114.167 -178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -105.74 -29.73 9.88 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -175.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -113.92 124.09 51.35 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.12 0.486 . . . . 0.0 111.715 -177.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -84.49 -1.31 55.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.934 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.7 t -96.89 13.61 28.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.32 0.581 . . . . 0.0 110.092 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.5 m -132.93 131.58 41.02 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.586 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.482 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 39.8 p90 -123.63 149.91 44.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.983 0.42 . . . . 0.0 111.061 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.75 125.99 16.51 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.067 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 41.8 p90 -120.12 141.71 49.57 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 121.038 0.447 . . . . 0.0 111.112 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 31.5 mt -105.94 122.42 59.52 Favored 'Isoleucine or valine' 0 C--O 1.255 1.37 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.869 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 91' ' ' ASN . 13.4 p -111.12 130.0 55.76 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.151 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.54 112.25 24.07 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.159 0.504 . . . . 0.0 111.186 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -103.8 108.42 19.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.245 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.6 pp -68.76 -1.3 6.75 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -98.31 -18.99 18.05 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.749 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.499 ' C ' ' H ' ' A' ' 116' ' ' HIS . 39.9 t -106.42 -28.83 10.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.459 ' HB3' ' O ' ' A' ' 114' ' ' SER . 34.7 t-20 77.39 -33.25 0.19 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -176.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.499 ' H ' ' C ' ' A' ' 114' ' ' SER . 54.2 m-70 -79.67 138.96 37.52 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.521 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -89.7 120.57 31.08 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.096 0.474 . . . . 0.0 110.609 -178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -76.37 115.15 15.85 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.179 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 49.7 t -107.95 109.52 21.03 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 60.6 m-70 -105.27 116.08 31.34 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -178.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.18 126.09 67.42 Favored 'Isoleucine or valine' 0 C--O 1.25 1.096 0 CA-C-O 121.207 0.527 . . . . 0.0 110.33 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 24.8 m-85 -128.92 143.3 50.85 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.79 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.47 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 41.4 p -98.12 137.13 37.35 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.149 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -94.44 151.86 19.05 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -82.55 -1.73 51.52 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.471 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -159.83 147.36 16.76 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.905 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.98 -40.57 89.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.819 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -65.39 -36.85 85.21 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -59.95 -46.55 89.03 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.138 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.04 99.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.564 177.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.3 91.7 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.593 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -57.34 -49.85 74.84 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.596 177.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.0 mt -62.46 -47.41 93.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 21.0 mm -57.85 -46.93 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 120.834 0.349 . . . . 0.0 110.451 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.5 tt -59.53 -53.22 60.61 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.012 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.411 HG23 ' SG ' ' A' ' 19' ' ' CYS . 8.8 m -61.42 -46.5 89.88 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.549 -177.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.2 -45.37 93.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.917 0.389 . . . . 0.0 110.78 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -61.99 -48.91 80.29 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.433 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.63 -39.1 93.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.549 0.214 . . . . 0.0 111.38 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.36 99.26 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.845 0.355 . . . . 0.0 110.58 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -69.24 -40.31 77.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.636 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -63.17 -55.61 23.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.786 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.99 -29.49 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.781 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -80.23 -11.62 59.71 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.896 0.379 . . . . 0.0 111.297 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -85.94 -20.04 29.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.195 0.522 . . . . 0.0 109.805 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 . . . . . 0 C--O 1.254 1.33 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.206 -178.362 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.23 5.97 3.13 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.634 0.774 . . . . 0.0 111.94 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.7 tp -91.59 145.7 24.39 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 175.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.9 tt -56.15 -20.47 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -177.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.92 -4.19 15.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.691 0.281 . . . . 0.0 111.592 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -118.12 -5.48 10.94 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.137 0.494 . . . . 0.0 110.8 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.0 p -155.73 136.21 13.25 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.016 178.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.557 ' HB3' ' CE2' ' A' ' 21' ' ' TYR . 87.3 m -109.18 109.29 20.21 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.325 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -104.38 106.05 16.4 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.152 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 19' ' ' CYS . 39.0 m-85 -129.89 178.38 6.56 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.619 0.247 . . . . 0.0 110.779 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -110.8 128.13 55.64 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.99 162.83 22.63 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.566 ' HB3' ' OG1' ' A' ' 123' ' ' THR . . . -102.32 129.14 48.67 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.424 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 2.9 t80 -73.6 95.09 2.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -176.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 tp -81.88 -57.75 3.29 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.356 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.56 163.66 30.23 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 118.933 -1.603 . . . . 0.0 114.023 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.7 p -118.51 102.84 9.21 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 176.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.5 tpp -98.71 134.33 41.78 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.63 -174.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.514 HD23 ' CG ' ' A' ' 116' ' ' HIS . 6.0 tt -90.68 121.18 32.35 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.886 -178.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 mm -114.46 127.65 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.894 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -84.53 -40.22 17.87 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.888 0.375 . . . . 0.0 110.42 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -119.2 112.89 20.06 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.372 0.606 . . . . 0.0 110.794 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.433 HD22 ' HB2' ' A' ' 117' ' ' HIS . 3.2 mm? -86.2 99.87 11.84 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.869 -177.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -94.68 81.4 3.85 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.16 -136.21 49.82 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.369 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.2 p -95.49 -7.69 37.39 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.156 0.503 . . . . 0.0 109.833 178.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -56.63 -39.14 73.13 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.361 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.1 m -62.41 -48.36 80.04 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-O 120.887 0.375 . . . . 0.0 111.11 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.3 p -63.69 -37.24 86.62 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.234 0.54 . . . . 0.0 110.397 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -74.74 -27.92 60.56 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.878 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.62 -52.41 60.97 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.04 95.02 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.54 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.2 t -59.15 -61.01 2.96 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.49 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.6 -40.05 74.64 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 120.666 0.27 . . . . 0.0 111.107 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -55.37 -55.37 32.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.719 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 61.6 mtm -75.94 -28.75 58.09 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -64.06 -45.21 89.78 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.901 0.382 . . . . 0.0 109.982 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.06 63.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.491 ' O ' ' HA ' ' A' ' 54' ' ' SER . 95.6 m-20 -91.02 -0.71 57.8 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.0 t -66.8 -37.36 84.4 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -79.34 127.08 31.64 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 173.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 81.8 tttt 63.32 37.25 11.08 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -174.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.491 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 25.9 t -58.53 158.49 7.59 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 114.735 -1.121 . . . . 0.0 111.641 -178.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.6 m -53.27 -45.84 69.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.482 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -96.76 15.17 22.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.199 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 48.39 25.06 0.81 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.577 1.151 . . . . 0.0 112.872 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -89.26 114.93 26.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.701 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.39 -21.42 13.48 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.04 -177.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.509 ' O ' HG21 ' A' ' 61' ' ' VAL . 8.9 mtpm? -102.05 -32.61 10.07 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.963 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 60' ' ' LYS . 3.9 m 57.48 155.98 0.08 OUTLIER Pre-proline 0 N--CA 1.492 1.654 0 C-N-CA 124.956 1.302 . . . . 0.0 113.163 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.505 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 6.4 Cg_endo -49.48 129.61 23.49 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 123.144 2.563 . . . . 0.0 113.29 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.1 m -83.99 128.33 34.47 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.28 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.462 HD13 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -119.12 131.88 70.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.642 -179.547 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 53.5 mt -77.56 109.76 12.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 CA-C-O 121.249 0.547 . . . . 0.0 109.767 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.93 97.13 10.77 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.525 -177.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.4 m -104.35 104.93 14.89 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.395 0.616 . . . . 0.0 110.464 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 p -109.41 120.61 60.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.197 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 m -121.95 153.29 38.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.11 -13.34 47.05 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -119.15 20.88 12.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.855 0.36 . . . . 0.0 110.895 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 146.48 160.56 8.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 119.933 -1.127 . . . . 0.0 112.739 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.4 m -120.25 142.39 36.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-O 121.242 0.544 . . . . 0.0 111.453 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -128.01 120.74 28.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.096 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.484 ' O ' ' HB ' ' A' ' 84' ' ' ILE . 12.4 m-85 -114.92 111.23 20.85 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.3 mp -119.71 145.09 26.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.735 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.597 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 8.0 t70 -75.7 141.18 42.76 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.265 177.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.36 12.19 37.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.777 0.322 . . . . 0.0 111.809 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 m -98.98 -58.56 1.91 Allowed 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.308 0.575 . . . . 0.0 110.389 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -124.01 16.24 9.26 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.014 -178.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.597 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 11.3 ptmm? 53.56 30.08 10.18 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.616 1.167 . . . . 0.0 111.983 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -71.01 132.83 45.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.397 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.3 mm -68.85 111.55 3.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-O 120.896 0.379 . . . . 0.0 110.268 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.484 ' HB ' ' O ' ' A' ' 75' ' ' PHE . 47.7 mm -67.83 -63.31 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -175.22 141.09 0.53 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.607 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.43 140.11 47.44 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 173.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -140.6 152.38 45.42 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.296 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.41 153.01 44.22 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 174.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.0 tp -59.85 -40.17 81.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.771 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.8 mtt-85 -71.54 -3.53 21.78 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -72.61 -28.03 62.52 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.2 mt -79.94 130.47 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t -93.97 -40.48 10.1 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.746 -177.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.1 t -163.66 170.25 17.37 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.975 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.87 130.98 34.69 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.725 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.59 -178.46 5.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.41 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -152.92 165.29 35.95 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.825 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -64.24 141.78 98.19 Favored Pre-proline 0 N--CA 1.469 0.499 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.95 -37.17 45.34 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.811 2.34 . . . . 0.0 113.453 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -108.11 -34.7 6.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -176.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -100.58 104.18 15.52 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.125 0.488 . . . . 0.0 110.243 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.03 0.7 34.62 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.744 -176.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.0 p -98.89 17.36 19.73 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.026 0.441 . . . . 0.0 110.591 177.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.0 m -132.48 118.27 19.09 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 122' ' ' PHE . 40.8 p90 -116.98 147.07 42.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.974 -178.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.9 111.34 7.53 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -107.5 143.44 35.89 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.049 0.452 . . . . 0.0 110.735 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 57.3 mt -98.1 125.34 51.39 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.205 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 64.0 p -119.35 164.95 14.93 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -110.98 135.91 50.78 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.019 178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -109.92 97.18 6.75 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.418 HD23 ' H ' ' A' ' 112' ' ' LEU . 2.5 pt? -61.92 -9.41 6.9 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -175.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -92.15 -32.03 15.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.123 0.487 . . . . 0.0 110.448 177.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.4 t -91.57 -22.78 20.15 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 19.7 m120 66.15 28.23 10.22 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.798 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.514 ' CG ' HD23 ' A' ' 30' ' ' LEU . 36.0 m80 -129.42 170.08 14.12 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.697 -178.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.433 ' HB2' HD22 ' A' ' 34' ' ' LEU . 12.3 m170 -103.75 124.29 48.62 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.7 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -104.47 119.2 38.42 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.806 -178.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 23.0 p -91.35 108.13 19.68 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.416 ' HB3' ' CE2' ' A' ' 122' ' ' PHE . 66.0 m80 -89.92 104.86 17.39 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.99 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.6 p -104.18 126.83 58.81 Favored 'Isoleucine or valine' 0 C--O 1.25 1.086 0 CA-C-O 121.543 0.687 . . . . 0.0 110.87 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 98.9 m-85 -127.5 145.88 50.69 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.199 -178.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.566 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 5.1 p -99.09 130.97 45.45 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.36 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.52 144.67 26.39 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -81.05 2.17 28.28 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.357 0.599 . . . . 0.0 109.882 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.416 ' OD1' ' HB3' ' A' ' 128' ' ' ASN . 17.7 t70 -151.99 131.46 12.98 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.894 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.24 -45.39 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-O 121.026 0.441 . . . . 0.0 111.187 -178.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.416 ' HB3' ' OD1' ' A' ' 126' ' ' ASP . 3.6 t30 -61.3 -44.42 97.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.019 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.487 HD23 ' CG ' ' A' ' 21' ' ' TYR . 3.2 tm? -54.36 -45.3 72.74 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.32 179.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.22 95.51 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.456 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.11 -38.99 88.27 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.942 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -60.3 -48.83 80.06 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.309 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.47 -46.0 89.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.914 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 37.2 mm -60.34 -43.99 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.056 0.455 . . . . 0.0 110.215 177.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.17 -43.76 98.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.025 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 27.7 m -61.66 -49.81 75.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.714 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.76 -44.77 96.32 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.062 0.458 . . . . 0.0 110.39 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.01 -45.24 94.03 Favored Glycine 0 N--CA 1.443 -0.833 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.14 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -70.02 -28.61 65.63 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 120.39 0.138 . . . . 0.0 111.255 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.93 97.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.946 0.403 . . . . 0.0 109.967 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -72.15 -41.92 66.55 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.473 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.37 -48.21 81.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.894 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.7 p -68.97 -10.25 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-O 120.989 0.424 . . . . 0.0 111.38 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -84.0 -20.34 32.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.17 0.509 . . . . 0.0 110.125 177.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -103.18 -44.69 5.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.588 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 . . . . . 0 C--O 1.252 1.232 0 CA-C-O 118.596 -0.716 . . . . 0.0 110.926 -178.18 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.599 0.238 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -74.11 121.77 21.67 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -31.55 72.77 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -175.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.524 HD11 ' N ' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -64.21 134.21 29.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 110.127 -0.324 . . . . 0.0 110.127 -178.317 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.524 ' N ' HD11 ' A' ' 15' ' ' ILE . . . 74.29 -25.43 0.2 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.675 0.79 . . . . 0.0 112.726 178.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -99.25 -10.88 21.83 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.102 0.477 . . . . 0.0 110.34 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.7 t -161.91 164.04 28.8 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.504 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.416 ' SG ' HG22 ' A' ' 136' ' ' THR . 31.0 p -158.63 152.32 23.31 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.296 175.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -137.6 115.86 11.81 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.102 -177.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -133.17 175.97 8.92 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.716 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.14 110.68 21.31 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.221 0.534 . . . . 0.0 110.359 177.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.89 171.03 7.63 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.252 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.03 130.43 55.48 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.27 97.18 1.2 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.032 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.432 HD12 ' OG1' ' A' ' 123' ' ' THR . 14.2 tp -80.2 -60.07 2.47 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.322 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.413 ' HA3' ' SD ' ' A' ' 47' ' ' MET . . . -170.97 156.21 26.14 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 119.56 -1.305 . . . . 0.0 113.621 178.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t -123.66 105.51 9.77 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.405 ' HE3' ' SD ' ' A' ' 47' ' ' MET . 1.3 mpp? -113.58 138.63 49.9 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.028 0.442 . . . . 0.0 111.769 -175.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 116' ' ' HIS . 51.2 tp -108.47 127.55 54.01 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.564 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -108.82 136.28 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -54.68 -67.44 0.27 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.577 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -142.33 126.67 17.65 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.484 HD13 ' H ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -157.34 153.31 27.15 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -175.515 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.484 ' H ' HD13 ' A' ' 34' ' ' LEU . 37.7 ptt180 -134.47 145.94 49.3 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.8 0.333 . . . . 0.0 110.684 177.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.69 -177.13 52.45 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.967 -0.635 . . . . 0.0 113.25 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 7.9 p -75.29 8.33 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.286 0.634 . . . . 0.0 111.633 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -61.45 -36.49 80.52 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.15 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 m -62.93 -44.95 94.69 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-O 121.063 0.459 . . . . 0.0 110.83 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.55 ' HA ' ' SG ' ' A' ' 119' ' ' CYS . 44.9 p -67.68 -52.57 36.31 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.512 -176.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 37' ' ' THR . 19.8 pt20 -63.54 -37.55 87.72 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -64.29 -62.01 1.88 Allowed 'General case' 0 C--O 1.242 0.7 0 CA-C-O 120.919 0.39 . . . . 0.0 110.835 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.17 98.22 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.012 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.8 t -63.71 -50.72 68.06 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.217 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.79 -43.46 85.63 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.742 0.306 . . . . 0.0 111.017 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -57.15 -53.82 53.8 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.965 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.413 ' SD ' ' HA3' ' A' ' 27' ' ' GLY . 66.0 mtm -72.98 -28.29 62.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -177.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.532 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 9.6 tpt180 -61.87 -50.93 70.25 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.82 -38.19 90.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.755 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -69.47 -29.33 66.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.666 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.1 t -76.95 -42.57 38.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.043 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 14.4 pt20 -77.39 82.3 3.85 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.552 0.692 . . . . 0.0 111.686 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -91.28 -2.42 57.42 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.226 176.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.7 t -148.55 -173.76 4.42 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 115.021 -0.99 . . . . 0.0 108.938 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.5 m -78.99 -58.66 3.12 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.086 0.469 . . . . 0.0 111.871 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.51 155.46 25.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.62 -176.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -68.29 103.85 1.7 Allowed 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.636 176.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.4 mmt -92.53 112.89 25.0 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.976 -176.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -84.26 76.47 10.1 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.298 0.57 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -95.48 14.18 23.54 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.706 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.9 m -121.6 155.16 59.94 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.213 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.3 153.98 24.58 Favored 'Trans proline' 0 C--O 1.239 0.534 0 C-N-CA 122.448 2.098 . . . . 0.0 112.256 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.8 m -86.87 136.57 32.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.662 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -126.39 129.14 71.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.833 -179.291 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.3 mp -73.78 112.57 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.63 98.3 11.59 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.136 -179.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -109.41 108.75 19.4 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-O 121.271 0.558 . . . . 0.0 110.002 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.0 126.19 75.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.574 -177.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.8 m -130.62 157.74 41.93 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.562 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.36 -11.28 30.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.807 0.337 . . . . 0.0 111.792 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -107.02 -6.06 17.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.485 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 164.36 161.55 13.66 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.215 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.7 p -132.83 131.78 59.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-O 120.978 0.418 . . . . 0.0 110.302 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.53 141.23 51.89 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.119 0.485 . . . . 0.0 111.233 -177.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.424 ' HB3' HD11 ' A' ' 64' ' ' ILE . 10.0 m-85 -126.35 105.73 9.0 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.163 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.432 ' O ' HG12 ' A' ' 64' ' ' ILE . 3.3 mp -122.24 140.19 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.699 -178.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.661 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -74.96 147.05 41.19 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.828 178.828 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.38 -18.0 24.96 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.705 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -67.06 -65.03 0.73 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.07 -178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -118.48 3.92 11.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.661 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 59.8 mttp 68.93 33.53 3.49 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.971 -177.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -66.92 130.35 42.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.196 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.8 tp -81.17 105.33 10.95 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 121.281 0.562 . . . . 0.0 110.581 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.2 mp -67.25 -51.25 55.12 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -170.66 151.79 3.63 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.145 0.498 . . . . 0.0 112.082 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -134.89 115.59 13.78 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -137.6 166.43 23.94 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.915 0.388 . . . . 0.0 110.5 -177.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -81.13 149.51 29.12 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 173.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.539 ' O ' HD11 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -58.63 -32.43 46.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-O 121.222 0.534 . . . . 0.0 110.139 -177.783 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 -62.59 -21.76 65.86 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.456 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -73.96 -12.67 60.71 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.715 -179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 29.3 mt -85.39 102.03 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.3 t -69.73 -34.1 73.39 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.652 -175.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.7 t -153.37 135.93 15.15 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.113 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.07 118.03 31.74 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.89 -174.02 3.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -147.18 173.79 12.2 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 15.4 t70 -69.08 138.36 89.81 Favored Pre-proline 0 C--N 1.326 -0.439 0 C-N-CA 121.001 -0.279 . . . . 0.0 110.821 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 31.1 Cg_exo -60.74 -30.02 89.47 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 123.065 2.51 . . . . 0.0 114.372 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -113.66 -33.87 5.7 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -176.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -110.0 109.99 20.76 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.243 0.544 . . . . 0.0 110.651 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.37 15.79 4.16 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.057 -176.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t -99.75 1.49 43.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.983 0.421 . . . . 0.0 110.109 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -132.73 132.47 42.34 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.34 0.59 . . . . 0.0 110.588 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 122' ' ' PHE . 42.2 p90 -114.16 149.86 35.04 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.913 -177.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.09 123.76 19.81 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.859 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -121.11 143.19 49.22 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 121.151 0.501 . . . . 0.0 111.156 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.472 HG21 ' CE1' ' A' ' 117' ' ' HIS . 30.7 mt -98.05 124.63 51.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.96 152.6 27.88 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.879 -173.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -137.15 119.09 15.27 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -149.96 175.65 11.49 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -175.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -23.51 63.85 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.991 0.424 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.86 18.36 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.718 0.77 . . . . 0.0 109.462 174.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.7 m -149.68 54.69 0.95 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.912 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -68.43 -27.28 66.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.879 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.444 ' HB2' HD11 ' A' ' 30' ' ' LEU . 79.6 m-70 -90.9 174.6 7.35 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.702 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.472 ' CE1' HG21 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -74.17 92.15 2.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.905 0.383 . . . . 0.0 111.696 -176.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.428 ' CE1' HD12 ' A' ' 30' ' ' LEU . 11.2 m-85 -87.38 118.56 26.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.79 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.55 ' SG ' ' HA ' ' A' ' 40' ' ' THR . 45.1 t -103.38 105.12 15.31 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -104.92 112.6 25.78 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.649 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.37 127.46 73.97 Favored 'Isoleucine or valine' 0 C--O 1.248 1.008 0 CA-C-O 121.345 0.593 . . . . 0.0 111.3 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 27.5 m-85 -125.71 135.07 51.69 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.823 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.432 ' OG1' HD12 ' A' ' 26' ' ' LEU . 86.1 m -95.76 121.52 37.57 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.617 -177.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.51 148.03 25.1 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -72.06 -33.31 67.85 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -113.99 134.82 54.59 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.261 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.48 -37.52 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.337 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -70.55 -31.02 67.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.123 0.487 . . . . 0.0 109.856 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 7.2 tt -67.65 -41.85 83.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.056 177.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.12 95.72 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.033 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.63 -38.69 85.61 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.795 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.16 -46.53 88.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.187 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 63.0 mt -60.35 -44.21 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.634 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.82 -42.25 91.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 110.455 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.3 tt -65.25 -44.46 88.06 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.416 HG22 ' SG ' ' A' ' 19' ' ' CYS . 25.6 m -61.09 -51.17 70.28 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.471 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 92.3 mt -55.98 -48.87 75.05 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.925 0.393 . . . . 0.0 110.681 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.78 -49.14 80.79 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.847 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -68.94 -35.39 76.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.938 0.399 . . . . 0.0 111.161 -178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.426 ' O ' HG13 ' A' ' 143' ' ' VAL . . . -68.2 -33.37 74.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.174 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -82.37 -37.69 25.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.254 0.55 . . . . 0.0 109.999 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.13 -35.62 81.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.327 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 140' ' ' ALA . 9.9 p -67.64 -16.04 20.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-O 120.96 0.41 . . . . 0.0 111.477 -178.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -87.16 -12.54 46.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.26 0.552 . . . . 0.0 110.253 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -109.07 -47.39 3.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.157 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--N 1.317 -0.824 0 CA-C-O 118.528 -0.749 . . . . 0.0 109.91 179.728 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.912 0.387 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -77.16 138.27 39.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.24 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 mp -72.47 -39.09 68.0 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.256 -176.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -67.47 0.61 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.79 -2.9 12.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.957 0.408 . . . . 0.0 110.623 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -129.66 -13.93 4.17 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 111.113 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 m -119.73 159.69 24.01 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.973 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.8 m -98.65 98.03 9.23 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.5 97.55 11.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -97.46 173.1 7.34 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.915 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -134.37 129.43 35.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.791 0.329 . . . . 0.0 110.29 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -138.28 176.06 9.03 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' A' ' 61' ' ' VAL . . . -99.89 122.93 43.57 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 178.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.05 92.71 2.17 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.435 ' HB3' HG13 ' A' ' 121' ' ' VAL . 38.2 tp -66.18 -51.98 52.62 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.856 -178.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.34 148.37 6.34 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 118.905 -1.617 . . . . 0.0 114.266 176.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 p -98.5 89.89 4.57 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 174.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.862 ' HE3' ' SD ' ' A' ' 47' ' ' MET . 2.1 tpp -90.09 140.71 29.39 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.384 -173.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.439 HD13 ' CE1' ' A' ' 118' ' ' TYR . 20.6 tp -93.87 127.99 39.91 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.742 -177.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.491 HD11 ' SG ' ' A' ' 119' ' ' CYS . 27.5 mm -104.37 122.79 57.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.039 -177.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -66.75 -26.94 67.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.417 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' H ' HG23 ' A' ' 31' ' ' ILE . 9.6 pt-20 -140.48 106.37 5.17 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.196 0.522 . . . . 0.0 110.522 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.9 95.12 2.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.313 0.577 . . . . 0.0 109.755 -178.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -100.69 36.58 1.89 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.527 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.82 -142.47 28.77 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.468 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.6 p -70.41 -16.6 62.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.294 0.569 . . . . 0.0 110.952 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -56.92 -42.59 80.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.589 176.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.403 ' HB3' HG21 ' A' ' 31' ' ' ILE . 1.1 m -60.05 -50.42 73.78 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.292 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.8 p -63.94 -39.74 94.84 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.151 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -67.95 -40.5 83.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.449 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.13 -49.89 74.08 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.118 0.485 . . . . 0.0 110.018 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.06 85.4 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.588 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 33.7 t -59.94 -55.2 37.08 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.904 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.02 -41.65 83.63 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.922 0.391 . . . . 0.0 110.967 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -57.66 -59.22 5.52 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.644 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.862 ' SD ' ' HE3' ' A' ' 29' ' ' MET . 46.5 mtm -66.4 -37.11 84.5 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.716 -178.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.6 ttt-85 -57.71 -49.26 77.13 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 52' ' ' GLN . . . -64.24 -42.71 96.42 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.863 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.94 -33.22 75.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.687 -179.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 48.7 t -78.67 -30.04 46.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.688 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -79.86 -11.2 59.83 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.965 0.412 . . . . 0.0 111.258 -179.641 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -73.37 -177.16 2.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.4 m -79.43 70.01 5.79 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.334 0.587 . . . . 0.0 109.522 176.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.5 m -118.24 101.38 8.16 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.438 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -72.62 -16.07 61.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.503 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.93 -26.6 67.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.037 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -149.98 105.47 3.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.424 0.63 . . . . 0.0 111.394 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.3 -38.52 0.85 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.415 178.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -136.13 92.03 2.75 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.093 176.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 24' ' ' ALA . 28.0 m -76.25 150.39 82.8 Favored Pre-proline 0 C--N 1.307 -1.257 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.262 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -53.32 139.89 63.43 Favored 'Trans proline' 0 C--O 1.239 0.552 0 C-N-CA 123.164 2.576 . . . . 0.0 113.508 -177.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.7 m -76.29 140.58 41.58 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.504 178.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.52 HD12 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -131.9 139.0 51.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.148 -177.015 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.406 ' N ' HD12 ' A' ' 65' ' ' ILE . 3.6 mp -86.1 111.92 21.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.305 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.3 mt -95.98 97.68 9.8 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.482 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.3 t -100.47 119.69 38.86 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-O 121.24 0.543 . . . . 0.0 110.651 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 p -117.35 131.39 70.22 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.755 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.9 p -142.39 176.78 8.74 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.544 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.62 113.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.415 ' HA ' ' CG2' ' A' ' 89' ' ' ILE . 0.0 OUTLIER 51.6 21.92 1.44 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.663 1.185 . . . . 0.0 113.641 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -149.14 136.38 5.78 Favored Glycine 0 CA--C 1.512 -0.148 0 C-N-CA 120.035 -1.079 . . . . 0.0 112.741 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.7 m -138.96 137.74 42.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-O 121.217 0.532 . . . . 0.0 111.1 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.462 ' CD ' HD13 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -139.16 142.36 37.98 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.112 0.482 . . . . 0.0 110.975 178.336 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.52 ' HB3' HD12 ' A' ' 64' ' ' ILE . 18.8 m-85 -129.4 120.45 25.54 Favored 'General case' 0 C--O 1.25 1.122 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.594 -173.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.462 HD13 ' CD ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER -125.0 144.19 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.568 -179.025 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.608 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 1.2 t70 -73.18 144.71 46.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.236 176.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.74 -13.13 29.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.79 0.328 . . . . 0.0 111.871 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 m -70.62 -58.89 3.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.898 0.38 . . . . 0.0 111.069 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -126.01 7.82 7.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.625 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.608 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 61.9 tttm 64.33 55.75 1.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.679 0.752 . . . . 0.0 110.282 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -84.8 130.22 34.7 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.443 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.6 mt -72.48 93.5 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 177.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.9 mt -76.09 -58.37 4.61 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.986 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.1 139.89 11.32 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.87 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -145.71 109.91 4.95 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.866 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -147.28 171.64 15.1 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 -177.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -67.08 159.66 28.32 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.415 ' CG2' ' HA ' ' A' ' 71' ' ' LYS . 12.5 tt -65.35 -19.24 25.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.582 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -63.73 -17.53 63.11 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.294 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -68.25 -26.16 65.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.04 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.0 mt -91.93 117.44 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.718 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.6 t -92.46 -25.41 18.45 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.833 -177.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 25.9 t -152.04 150.48 30.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.923 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -139.07 115.8 10.73 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.29 150.83 51.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.018 0.437 . . . . 0.0 111.059 -178.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.415 HE21 ' HB2' ' A' ' 97' ' ' GLN . 0.0 OUTLIER -115.46 159.51 21.09 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 177.33 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 10.1 t70 -71.97 124.45 90.89 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.897 0.379 . . . . 0.0 111.815 -176.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 23.2 Cg_exo -65.87 -34.71 38.4 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.954 2.436 . . . . 0.0 113.745 -178.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -94.07 -17.57 22.71 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.848 0.356 . . . . 0.0 111.64 -176.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -133.55 107.33 7.94 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.218 0.533 . . . . 0.0 110.161 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.414 HD12 HE22 ' A' ' 97' ' ' GLN . 4.0 mm? -78.12 7.59 6.01 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.335 -176.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.1 t -110.88 14.07 22.14 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.021 -178.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.9 t -145.43 156.75 43.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.827 0.346 . . . . 0.0 110.633 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -154.82 171.61 19.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.61 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -155.32 129.7 9.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.701 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -115.71 157.75 23.82 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.162 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 63.3 mt -113.7 125.85 71.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.626 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.89 152.12 22.32 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.744 177.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.34 93.13 4.8 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.54 0.685 . . . . 0.0 111.949 -179.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.568 ' OD2' ' HB2' ' A' ' 114' ' ' SER . 8.0 p-10 -84.93 81.98 8.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.195 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.7 tp -70.84 -5.39 30.07 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.153 0.501 . . . . 0.0 110.593 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -93.29 -8.22 42.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.18 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.568 ' HB2' ' OD2' ' A' ' 111' ' ' ASP . 45.0 m -128.0 -32.16 2.32 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.329 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 16.6 m120 74.06 15.68 3.69 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 175.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -130.1 98.19 4.67 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 176.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.457 ' HA ' ' OD1' ' A' ' 111' ' ' ASP . 34.5 m80 -63.79 130.88 45.99 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -171.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.439 ' CE1' HD13 ' A' ' 30' ' ' LEU . 83.8 m-85 -94.21 150.53 20.22 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.321 -1.309 . . . . 0.0 110.513 177.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' A' ' 31' ' ' ILE . 26.6 p -117.46 113.25 21.77 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 171.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -94.99 104.5 16.37 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -176.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.435 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.3 p -99.1 131.69 45.88 Favored 'Isoleucine or valine' 0 C--O 1.254 1.313 0 CA-C-O 121.3 0.571 . . . . 0.0 111.146 -178.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -132.96 133.41 43.15 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.714 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.6 t -107.76 135.44 49.17 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.415 ' HB3' ' HB1' ' A' ' 130' ' ' ALA . . . -100.4 151.87 21.02 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.406 -178.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -86.01 11.67 11.09 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.473 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -156.82 135.89 11.91 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.78 -53.12 45.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.634 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -61.77 -39.64 92.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.653 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.03 -48.52 79.82 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.733 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.415 ' HB1' ' HB3' ' A' ' 124' ' ' ALA . . . -61.47 -43.96 97.94 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 178.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.98 94.12 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.786 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -60.02 -42.99 95.53 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.107 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.83 -54.37 30.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.575 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 40.9 mm -59.3 -45.57 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.3 tt -60.29 -45.61 92.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.803 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.2 m -65.48 -41.79 92.93 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.454 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.03 -49.01 79.12 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.253 177.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.18 -44.23 97.6 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.284 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -61.35 -50.45 72.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.911 0.386 . . . . 0.0 110.427 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.02 98.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.177 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -70.18 -25.74 63.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.619 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -76.6 -53.64 7.77 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.551 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 12.8 p -66.51 -27.68 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.412 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -75.57 -12.98 60.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.7 0.286 . . . . 0.0 111.477 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -89.2 -27.83 20.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.042 0.449 . . . . 0.0 110.334 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 . . . . . 0 C--O 1.25 1.107 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.842 -178.751 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 C--O 1.237 0.424 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.591 ' SG ' HG13 ' A' ' 68' ' ' VAL . 30.2 p -124.58 140.96 52.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.91 0.386 . . . . 0.0 110.34 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -124.93 116.93 22.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.872 -177.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -132.23 166.51 21.7 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.062 0.458 . . . . 0.0 111.684 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -101.08 108.52 20.24 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.58 177.96 4.7 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.74 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -123.38 123.64 41.14 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 176.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.436 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -72.71 102.53 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.649 0.261 . . . . 0.0 110.373 -176.555 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.413 ' HA ' HG21 ' A' ' 61' ' ' VAL . 31.1 tp -78.32 -58.93 3.0 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.415 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.46 155.09 21.64 Favored Glycine 0 N--CA 1.438 -1.206 0 C-N-CA 119.031 -1.557 . . . . 0.0 113.937 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.421 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 8.7 p -110.35 95.8 5.8 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 175.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 tpp -88.25 127.53 35.46 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.021 0.439 . . . . 0.0 111.939 -174.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.425 HD23 ' CE1' ' A' ' 118' ' ' TYR . 3.1 tm? -81.86 123.69 29.04 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.586 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.8 mm -108.73 127.52 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.53 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -67.57 -60.77 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.5 127.62 53.21 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.631 HD13 ' H ' ' A' ' 36' ' ' GLY . 2.8 tm? -77.98 110.94 13.34 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.52 -176.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.458 ' HD3' ' OE2' ' A' ' 38' ' ' GLU . 30.9 mtp180 -107.2 28.33 8.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.241 0.543 . . . . 0.0 110.642 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.631 ' H ' HD13 ' A' ' 34' ' ' LEU . . . 87.88 -144.18 18.66 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.816 177.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.3 p -69.69 -12.46 61.65 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 122.613 0.365 . . . . 0.0 111.618 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.458 ' OE2' ' HD3' ' A' ' 35' ' ' ARG . 36.2 tt0 -60.35 -43.51 96.43 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -62.8 -41.64 99.37 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.058 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.9 p -70.44 -41.78 72.41 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.766 0.317 . . . . 0.0 111.217 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -65.4 -42.52 92.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.781 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.69 -49.4 76.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.548 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.6 -46.72 89.21 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.897 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 42.0 t -60.83 -60.32 3.98 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.57 -50.74 71.03 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -59.52 -51.51 69.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.222 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.442 ' HE1' ' CG1' ' A' ' 121' ' ' VAL . 20.6 ttp -70.92 -40.78 71.89 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -176.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 44' ' ' CYS . 16.6 ptm180 -63.41 -36.73 84.7 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.77 -29.88 58.93 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 121.057 0.456 . . . . 0.0 110.291 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -77.16 -20.77 55.03 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.203 0.525 . . . . 0.0 110.367 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.6 t . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.406 -179.234 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.74 HG23 ' HB1' ' A' ' 24' ' ' ALA . 2.8 m . . . . . 0 CA--C 1.536 0.407 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 4.0 Cg_endo -46.26 137.74 13.87 Favored 'Trans proline' 0 C--N 1.366 1.498 0 C-N-CA 124.018 3.145 . . . . 0.0 113.568 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.0 m -79.74 135.22 36.46 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.969 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -134.0 133.97 55.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 C-N-CA 123.857 0.863 . . . . 0.0 108.887 179.363 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.8 mt -77.58 107.43 9.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-O 121.318 0.58 . . . . 0.0 110.003 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.71 103.48 15.99 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.01 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.415 ' HB3' ' HG2' ' A' ' 74' ' ' LYS . 1.9 t -111.51 116.6 31.14 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 121.28 0.562 . . . . 0.0 110.012 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.591 HG13 ' SG ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -119.75 129.03 75.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.8 -177.492 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.5 t -131.61 160.55 35.02 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.637 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.82 -11.32 60.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.139 0.495 . . . . 0.0 110.903 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -101.29 -11.07 19.75 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.706 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.443 ' HA2' ' N ' ' A' ' 89' ' ' ILE . . . 159.59 162.01 11.78 Favored Glycine 0 CA--C 1.5 -0.848 0 C-N-CA 119.746 -1.216 . . . . 0.0 112.684 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.4 HG22 HG23 ' A' ' 68' ' ' VAL . 60.3 t -119.76 133.2 67.29 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.132 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.415 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -127.1 137.17 52.95 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 121.493 0.663 . . . . 0.0 111.694 -178.405 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.488 ' O ' ' HB ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -114.17 115.71 27.91 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.229 -178.605 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.47 ' O ' HG12 ' A' ' 64' ' ' ILE . 4.4 mp -122.57 138.64 52.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.554 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 20.3 t70 -70.08 140.99 52.84 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.83 -20.76 28.66 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.0 m -89.34 -54.56 4.04 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 120.87 0.366 . . . . 0.0 111.593 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -103.58 8.23 37.62 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.554 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 14.0 ptmm? 49.78 27.06 2.11 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.906 0.882 . . . . 0.0 111.251 -177.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.439 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 50.8 t-20 -61.23 124.67 21.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.519 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.401 HG23 ' O ' ' A' ' 83' ' ' ILE . 7.3 tp -75.7 82.52 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-O 121.913 0.863 . . . . 0.0 109.301 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.488 ' HB ' ' O ' ' A' ' 75' ' ' PHE . 67.8 mt -56.72 -58.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.07 -177.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -174.12 145.54 1.07 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -121.75 108.11 13.13 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 174.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -120.21 144.22 47.84 Favored 'General case' 0 C--N 1.308 -1.202 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.145 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -59.87 144.96 47.38 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.944 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.458 ' O ' HD13 ' A' ' 89' ' ' ILE . 0.3 OUTLIER -63.48 -24.1 35.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.451 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -67.99 -12.89 61.63 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.028 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -89.76 -14.69 34.04 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.295 0.569 . . . . 0.0 110.135 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.417 ' HA ' HG22 ' A' ' 109' ' ' THR . 25.5 mt -85.58 132.61 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.3 t -98.6 -43.47 6.83 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.665 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.46 ' HB2' HG12 ' A' ' 108' ' ' ILE . 50.5 m -152.78 155.21 36.72 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.368 -178.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.11 116.17 15.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.398 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -123.1 179.1 4.8 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.613 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -145.34 170.32 16.54 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.533 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 11.2 t70 -70.08 134.84 87.33 Favored Pre-proline 0 C--N 1.319 -0.738 0 O-C-N 123.144 0.278 . . . . 0.0 110.283 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.28 -34.1 87.19 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.318 2.678 . . . . 0.0 114.044 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -114.22 -21.98 10.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.533 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 9.9 t70 -109.23 95.98 5.99 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.9 11.77 3.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.383 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.5 t -107.11 8.05 29.98 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-O 121.752 0.787 . . . . 0.0 108.903 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.1 m -127.17 120.64 29.28 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.864 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 122' ' ' PHE . 36.4 p90 -118.36 141.04 48.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.949 0.404 . . . . 0.0 111.523 -177.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -137.07 116.2 12.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.275 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -116.98 151.55 36.47 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 121.042 0.449 . . . . 0.0 111.492 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.46 HG12 ' HB2' ' A' ' 94' ' ' CYS . 0.0 OUTLIER -107.52 133.94 50.76 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.95 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.935 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.417 HG22 ' HA ' ' A' ' 92' ' ' ILE . 6.0 p -118.96 165.59 13.9 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.6 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -101.42 85.79 2.85 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 173.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.54 94.75 1.73 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.723 -177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.6 mt -58.16 -36.77 73.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.297 -1.319 . . . . 0.0 113.05 -174.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -75.82 -15.25 60.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.943 0.402 . . . . 0.0 111.442 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.1 m -103.72 -19.32 14.35 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.573 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 61.47 23.24 13.53 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.62 0.724 . . . . 0.0 109.942 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -140.05 -169.48 2.75 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.707 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -127.14 123.64 37.25 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.184 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.425 ' CE1' HD23 ' A' ' 30' ' ' LEU . 34.7 m-85 -100.81 126.74 47.41 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.705 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 90.4 m -83.28 102.75 12.16 Favored 'General case' 0 N--CA 1.433 -1.323 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -89.29 104.64 17.17 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.442 ' CG1' ' HE1' ' A' ' 47' ' ' MET . 3.3 p -112.93 128.85 69.45 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.415 -177.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 43.4 m-85 -126.67 148.39 49.84 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.446 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 66.6 p -104.86 123.51 47.83 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.39 168.72 16.32 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.239 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -102.26 11.62 37.9 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -162.6 140.43 8.35 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.425 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.84 -51.69 63.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.561 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -58.5 -40.07 81.8 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.961 0.41 . . . . 0.0 110.089 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.7 tt -56.53 -53.0 62.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.025 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.47 -46.76 87.02 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.22 83.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.999 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -64.03 -44.53 92.27 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.008 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.0 mt -58.43 -46.78 89.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.37 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.505 HD11 ' HB2' ' A' ' 105' ' ' PHE . 31.4 mm -55.73 -48.41 77.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.058 0.456 . . . . 0.0 110.482 177.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.74 -43.83 92.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.621 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.4 m -63.16 -41.51 99.26 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.372 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 85.8 mt -63.8 -50.29 69.53 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.016 0.436 . . . . 0.0 110.379 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.2 -46.3 94.5 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.317 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -61.76 -42.96 99.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 0.0 110.61 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.43 -47.61 84.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.993 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -67.1 -36.86 82.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.595 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.67 -47.92 76.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.5 p -72.06 -26.4 25.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.266 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 121.043 0.449 . . . . 0.0 110.589 178.776 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.444 -0.746 0 CA-C-O 120.894 0.378 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.7 t -115.71 108.52 16.47 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -92.66 104.85 17.09 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.618 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -112.79 172.34 6.99 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.394 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -116.84 112.6 21.33 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.02 177.6 4.76 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.538 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -117.44 131.13 56.8 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.443 178.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -72.86 98.4 2.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.388 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.4 tp -78.4 -62.19 1.76 Allowed 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.21 152.78 12.48 Favored Glycine 0 N--CA 1.439 -1.144 0 C-N-CA 118.782 -1.675 . . . . 0.0 114.14 176.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p -104.11 112.54 25.58 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 173.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.2 tpp -104.64 139.24 39.78 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -173.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -82.36 116.9 22.05 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.6 mm -96.39 114.6 33.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-O 121.103 0.477 . . . . 0.0 111.245 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -90.36 -50.08 6.17 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 14.8 mp0 -93.08 97.86 10.96 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.353 178.257 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 34' ' ' LEU . 1.9 tm? -78.41 98.06 5.88 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 2.3 ptm85 -122.87 36.52 4.63 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.958 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.59 -131.56 31.94 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.052 -0.976 . . . . 0.0 113.27 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.408 HG22 ' HB2' ' A' ' 96' ' ' ALA . 32.5 p -67.54 -12.97 61.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.95 0.405 . . . . 0.0 111.741 -178.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.405 ' HB3' ' HG3' ' A' ' 35' ' ' ARG . 1.1 tm-20 -71.57 -36.95 71.07 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.4 m -65.88 -43.09 89.36 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.111 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.5 HG22 ' SG ' ' A' ' 119' ' ' CYS . 24.1 p -66.13 -36.25 82.64 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.255 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -66.88 -42.57 85.36 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.839 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.41 -49.86 76.17 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.812 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.68 -49.27 73.82 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.35 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.4 t -61.1 -48.55 81.14 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.839 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.485 ' O ' ' HG2' ' A' ' 48' ' ' ARG . . . -60.03 -44.77 94.41 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 120.929 0.395 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -56.1 -51.73 66.86 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.969 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 61.7 mtm -79.53 -31.33 42.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 28.1 ptt180 -63.29 -28.4 69.99 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.32 -39.97 14.88 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.573 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -67.41 -36.16 80.73 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -177.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.466 0.359 0 CA-C-O 120.863 0.364 . . . . 0.0 111.406 -178.656 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.538 HG23 ' HB1' ' A' ' 24' ' ' ALA . 9.5 m . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 120.56 0.219 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 61' ' ' VAL . 35.1 Cg_exo -60.54 149.8 84.95 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.064 2.509 . . . . 0.0 113.007 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.9 m -85.06 135.38 34.03 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.677 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.654 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.9 OUTLIER -123.7 133.03 70.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.782 178.681 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.1 mt -79.22 106.55 10.43 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 CA-C-O 121.468 0.651 . . . . 0.0 109.283 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.42 94.19 9.78 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.571 -178.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.425 ' OG ' ' HB2' ' A' ' 74' ' ' LYS . 13.2 p -96.21 94.6 7.59 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.271 0.558 . . . . 0.0 110.267 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.9 p -96.31 122.46 47.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.318 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.8 t -132.85 151.46 52.02 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.165 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.45 -19.62 66.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.414 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -98.58 0.37 44.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.233 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.51 144.84 4.01 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.837 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.4 t -110.67 122.75 65.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 121.252 0.548 . . . . 0.0 110.897 -178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.425 ' HB2' ' OG ' ' A' ' 67' ' ' SER . 3.8 mptp? -108.54 133.62 52.43 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.873 -178.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.654 ' HB3' HD11 ' A' ' 64' ' ' ILE . 25.7 m-85 -116.3 101.44 8.68 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.255 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.3 mt -114.55 139.76 38.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.381 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.678 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 3.4 t70 -74.99 144.29 43.2 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.365 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.15 -12.87 22.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 m -69.61 -54.75 12.49 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -123.5 3.78 9.02 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.382 0.611 . . . . 0.0 109.944 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.678 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 3.9 ttmp? 64.56 29.16 13.24 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.028 -178.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -77.45 140.66 39.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.861 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.6 tp -75.1 112.7 12.94 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-O 121.183 0.516 . . . . 0.0 110.654 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.404 HD11 ' HB2' ' A' ' 77' ' ' ASP . 48.7 mm -71.66 -55.82 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -179.48 161.15 1.03 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.678 -1.146 . . . . 0.0 109.798 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -141.48 119.39 11.9 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -116.78 141.53 48.09 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.796 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -71.65 146.78 48.06 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 173.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.9 tp -54.27 -33.16 24.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 120.859 0.361 . . . . 0.0 111.525 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -63.12 -25.82 68.54 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.2 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -81.68 -21.69 37.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.916 0.389 . . . . 0.0 110.712 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.523 ' HA ' HG22 ' A' ' 109' ' ' THR . 41.5 mt -79.66 113.45 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.1 m -90.34 -38.67 13.2 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.866 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 30.3 t -138.68 151.48 47.22 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.874 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.7 101.81 4.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.401 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.408 ' HB2' HG22 ' A' ' 37' ' ' THR . . . -114.89 -175.49 2.7 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 120.969 0.414 . . . . 0.0 111.117 -177.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.457 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 4.8 pm0 -153.35 171.64 18.29 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.577 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 12.3 t70 -71.73 133.29 84.56 Favored Pre-proline 0 C--N 1.318 -0.773 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.533 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 39.7 Cg_exo -59.38 -36.29 94.48 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.157 2.572 . . . . 0.0 113.528 -179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -103.71 -26.17 12.85 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.976 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.577 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 15.3 t70 -113.49 104.64 12.47 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.179 0.514 . . . . 0.0 110.68 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.07 15.85 2.63 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.44 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.9 t -105.64 -0.47 25.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.914 0.387 . . . . 0.0 110.349 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.438 HG23 ' HB2' ' A' ' 98' ' ' ASP . 5.0 t -130.87 134.65 46.98 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 121.23 0.538 . . . . 0.0 110.773 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 41.0 p90 -122.17 150.94 41.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.137 -176.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.02 114.9 9.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.34 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 38.2 p90 -107.38 159.27 16.52 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 120.907 0.384 . . . . 0.0 111.191 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.6 mt -116.67 122.2 69.38 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.5 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 92' ' ' ILE . 7.9 p -128.15 174.96 8.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.984 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -148.93 116.57 6.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.037 0.446 . . . . 0.0 111.324 178.217 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.52 ' HB2' ' OG ' ' A' ' 114' ' ' SER . 3.7 m-20 -86.06 170.18 12.47 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.796 176.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.2 tp -68.92 -21.84 64.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.87 0.367 . . . . 0.0 111.164 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -102.19 10.7 39.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.123 0.487 . . . . 0.0 110.391 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.52 ' OG ' ' HB2' ' A' ' 111' ' ' ASP . 25.6 m -103.22 78.53 1.64 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.233 -177.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -58.99 -37.68 77.42 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 175.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -98.09 147.13 24.86 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.608 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -76.85 143.57 39.61 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 120.726 0.298 . . . . 0.0 111.05 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -108.39 115.79 30.77 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.968 0.413 . . . . 0.0 110.798 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.5 ' SG ' HG22 ' A' ' 40' ' ' THR . 52.6 t -86.6 118.71 26.19 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 72.6 m80 -106.18 106.54 17.1 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.862 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.1 p -109.98 130.09 63.76 Favored 'Isoleucine or valine' 0 C--O 1.255 1.387 0 CA-C-O 121.225 0.536 . . . . 0.0 111.04 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 77.6 m-85 -128.81 138.58 52.14 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.023 -178.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.413 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 36.0 p -95.61 121.27 37.13 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.179 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.5 ' HB1' HD22 ' A' ' 129' ' ' LEU . . . -85.05 154.06 22.32 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -84.32 -4.17 58.7 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.04 0.448 . . . . 0.0 110.513 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.401 ' HB3' ' HB2' ' A' ' 129' ' ' LEU . 13.8 t70 -146.02 137.11 24.59 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.841 -178.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.7 -54.72 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.868 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.67 -32.94 72.12 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.038 0.447 . . . . 0.0 110.632 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.5 HD22 ' HB1' ' A' ' 124' ' ' ALA . 9.4 tt -59.92 -51.71 68.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.527 177.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.72 -39.51 94.28 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.75 90.9 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.124 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.74 -35.4 80.02 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.601 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 129' ' ' LEU . 64.6 mt -56.79 -46.73 83.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 49.2 mm -61.31 -45.06 99.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.413 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.1 -43.43 98.86 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.602 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 27.1 m -63.85 -39.26 93.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.324 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.11 -43.69 94.53 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.961 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.75 -50.0 71.82 Favored Glycine 0 C--O 1.245 0.812 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -58.37 -42.45 87.01 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.453 ' HA ' HG12 ' A' ' 143' ' ' VAL . . . -61.24 -42.94 99.49 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -58.33 -50.25 74.31 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.716 0.293 . . . . 0.0 111.119 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.91 -44.59 61.05 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -177.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' A' ' 140' ' ' ALA . 9.7 p -63.16 -32.81 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 120.748 0.308 . . . . 0.0 111.606 -177.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.409 0 CA-C-O 121.03 0.443 . . . . 0.0 110.551 178.938 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.5 p . . . . . 0 C--O 1.239 0.513 0 CA-C-O 121.166 0.508 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.5 m -109.86 134.27 52.24 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.152 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -116.12 115.42 26.03 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.407 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -125.05 134.2 52.63 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.407 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -90.94 120.24 31.78 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.039 0.447 . . . . 0.0 110.872 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.8 165.91 15.83 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.524 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -103.15 125.93 50.08 Favored 'General case' 0 C--N 1.308 -1.226 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.128 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.479 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.6 OUTLIER -71.55 93.51 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.361 -177.778 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.541 ' HA ' HG11 ' A' ' 61' ' ' VAL . 38.0 tp -72.43 -59.78 2.56 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.366 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -174.43 171.53 44.64 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 119.599 -1.286 . . . . 0.0 112.983 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.5 p -131.4 102.12 5.82 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.435 ' SD ' ' HB1' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -84.86 156.16 21.41 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.946 0.403 . . . . 0.0 110.617 -179.045 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.487 HD13 ' CE1' ' A' ' 118' ' ' TYR . 18.6 tp -107.52 110.63 22.59 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 mm -116.3 118.53 59.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.668 -173.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.596 ' HD3' ' H ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -94.58 -38.51 10.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.2 177.045 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -94.52 55.6 1.98 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.834 177.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.628 HD23 ' H ' ' A' ' 34' ' ' LEU . 1.6 pt? -69.35 132.34 46.25 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.567 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.476 ' HB2' ' HB3' ' A' ' 38' ' ' GLU . 30.9 mtm-85 -123.08 37.06 4.51 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.388 0.613 . . . . 0.0 109.839 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.11 -124.64 6.63 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.678 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.439 HG22 ' HB2' ' A' ' 96' ' ' ALA . 30.1 p -67.44 -14.16 62.68 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.382 0.61 . . . . 0.0 111.498 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 35' ' ' ARG . 4.9 tp10 -65.02 -45.27 86.19 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.718 177.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.453 ' OG ' ' HA ' ' A' ' 34' ' ' LEU . 14.2 m -67.56 -40.18 84.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.218 -177.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.42 ' HB ' ' HB3' ' A' ' 106' ' ' ALA . 25.1 p -65.26 -44.89 86.65 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.454 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -67.29 -39.98 86.02 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.304 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -56.66 -57.14 13.68 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.815 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.435 ' HB1' ' SD ' ' A' ' 29' ' ' MET . . . -63.33 -41.45 98.89 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.0 t -56.05 -62.45 1.69 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.14 86.18 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.655 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -55.62 -56.65 17.9 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.632 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.48 ' HE3' ' HG ' ' A' ' 26' ' ' LEU . 58.9 mtm -77.62 -25.18 49.58 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.511 -0.475 . . . . 0.0 111.974 -179.035 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -64.32 -30.83 71.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.265 0.555 . . . . 0.0 109.696 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.75 -27.61 21.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.469 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.4 ' HB3' ' HA ' ' A' ' 47' ' ' MET . 63.5 t30 -76.13 -37.36 58.12 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.136 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.7 p . . . . . 0 N--CA 1.471 0.596 0 CA-C-O 120.847 0.356 . . . . 0.0 111.33 -178.263 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' A' ' 26' ' ' LEU . 15.8 m . . . . . 0 N--CA 1.444 -0.765 0 CA-C-O 120.5 0.191 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 61' ' ' VAL . 1.3 Cg_endo -81.76 155.38 18.0 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 -179.049 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.7 m -89.32 134.01 34.24 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.478 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.431 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -126.43 131.44 71.39 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.912 -178.791 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.1 mp -84.95 111.46 20.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 76.6 mt -86.59 97.23 10.42 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.002 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.1 m -90.44 92.55 8.93 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 p -99.2 126.06 52.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.309 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.5 m -132.37 153.34 50.86 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.216 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.86 -17.09 48.16 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -177.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -102.7 -12.74 17.44 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 170.93 164.43 26.63 Favored Glycine 0 CA--C 1.509 -0.339 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.084 -177.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.8 t -126.91 135.79 62.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 120.994 0.426 . . . . 0.0 111.189 -178.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -118.55 136.11 54.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.117 178.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.431 ' HB3' HD11 ' A' ' 64' ' ' ILE . 5.0 m-85 -116.6 107.19 14.41 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.7 mp -117.2 142.61 30.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 CA-C-O 120.669 0.271 . . . . 0.0 110.515 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.662 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 2.3 t70 -79.6 145.94 32.81 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.596 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.28 -17.69 22.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.833 0.349 . . . . 0.0 111.552 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -75.06 -57.8 3.68 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.491 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -111.3 -8.02 14.37 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.794 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.662 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 14.0 mmmm 71.69 29.42 2.56 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.315 -177.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -66.3 129.2 39.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.043 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.0 tp -76.25 88.17 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 CA-C-O 121.966 0.888 . . . . 0.0 108.702 175.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.491 HD11 ' HB2' ' A' ' 77' ' ' ASP . 73.7 mt -60.86 -57.18 13.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.015 -175.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.89 160.74 31.33 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 119.722 -0.791 . . . . 0.0 112.643 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -141.3 134.54 29.46 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.953 -1.021 . . . . 0.0 108.716 175.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.57 154.92 29.32 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.329 178.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -66.33 141.09 58.1 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.572 ' O ' HD13 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.05 -27.99 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 CA-C-O 120.849 0.356 . . . . 0.0 111.473 -176.123 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -7.5 34.44 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.491 ' ND2' HG22 ' A' ' 109' ' ' THR . 0.1 OUTLIER -84.61 -13.6 51.15 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.962 0.41 . . . . 0.0 110.446 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.9 mt -82.51 105.17 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.8 t -72.9 -40.21 65.74 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.085 -175.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.4 t -151.54 152.09 32.46 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.383 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.78 124.5 26.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.566 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.439 ' HB2' HG22 ' A' ' 37' ' ' THR . . . -141.84 172.92 12.02 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.831 0.348 . . . . 0.0 111.297 -178.034 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.528 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 12.0 pt20 -141.46 168.78 18.94 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.265 178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.623 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 13.1 t70 -70.37 136.6 86.39 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.756 -178.243 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -63.06 -39.53 39.21 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.913 2.408 . . . . 0.0 113.674 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -99.07 -33.54 10.76 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.816 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.623 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 24.3 t70 -104.79 106.17 16.55 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.295 0.569 . . . . 0.0 109.989 177.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -84.33 13.9 4.91 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.427 -176.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.1 t -109.59 -1.41 18.19 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.892 0.377 . . . . 0.0 110.271 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.7 m -119.48 133.44 55.69 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.223 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 40.7 p90 -134.88 158.24 44.76 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.859 0.362 . . . . 0.0 110.835 -178.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.42 ' HB3' ' HB ' ' A' ' 40' ' ' THR . . . -148.6 136.32 20.66 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.304 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -123.49 140.18 53.26 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-O 121.297 0.57 . . . . 0.0 111.24 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.3 mt -93.38 119.16 40.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.846 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.491 HG22 ' ND2' ' A' ' 91' ' ' ASN . 0.2 OUTLIER -113.39 139.99 48.43 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.598 -174.102 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -89.69 103.87 16.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.547 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -103.89 99.1 8.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.123 0.487 . . . . 0.0 110.93 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.6 mt -68.09 -14.47 63.0 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.823 -176.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -74.15 -28.0 61.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.721 0.296 . . . . 0.0 110.735 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.9 t -111.49 -23.36 10.77 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.478 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.1 t30 75.48 -38.75 0.37 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.929 0.892 . . . . 0.0 111.065 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.421 ' NE2' ' HB3' ' A' ' 32' ' ' LYS . 3.5 t-160 -73.71 128.43 35.49 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -63.02 129.85 42.16 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.487 ' CE1' HD13 ' A' ' 30' ' ' LEU . 67.5 m-85 -102.74 145.49 29.64 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.513 177.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 43.7 t -120.49 105.64 11.04 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 176.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -96.15 109.68 22.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.395 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.7 p -106.95 127.04 62.89 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.578 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 18.0 m-85 -124.59 148.8 47.64 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.155 -178.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 32.9 p -102.55 120.11 39.97 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.869 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.2 150.97 27.1 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -85.27 8.89 16.88 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 120.736 0.303 . . . . 0.0 110.409 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' ' 128' ' ' ASN . 21.0 t70 -166.85 142.57 4.36 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.743 -178.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 89.4 t -62.8 -48.39 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.533 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.498 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 7.9 t30 -60.87 -42.33 97.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.107 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.436 ' O ' HG13 ' A' ' 133' ' ' ILE . 2.8 tm? -56.58 -47.07 80.35 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.836 178.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.8 -44.24 97.11 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.735 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.8 96.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.798 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 128' ' ' ASN . 29.7 mm-40 -58.87 -46.73 87.12 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.327 177.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 129' ' ' LEU . 55.1 mt -58.11 -53.59 43.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.062 178.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.46 HD11 ' HB2' ' A' ' 105' ' ' PHE . 45.8 mm -57.84 -44.62 86.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.33 -49.06 79.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.694 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 23.6 m -65.54 -43.84 88.71 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.251 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.08 -48.05 83.34 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.853 0.358 . . . . 0.0 110.517 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.28 -45.13 96.61 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.249 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -63.26 -43.61 97.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.656 0.265 . . . . 0.0 110.665 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.96 -43.92 97.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.755 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -66.9 -37.42 84.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.236 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.99 -53.58 53.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.73 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.0 p -67.93 -25.54 32.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.944 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.29 177.862 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 N--CA 1.446 -0.634 0 CA-C-O 121.05 0.452 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.532 ' HB2' HG13 ' A' ' 68' ' ' VAL . 99.0 m -152.35 107.64 3.28 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.422 176.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -101.89 120.66 40.75 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.213 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.613 ' HB3' HD21 ' A' ' 129' ' ' LEU . 75.8 m-85 -135.34 148.39 49.43 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.675 0.274 . . . . 0.0 111.287 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -99.42 107.91 20.25 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.829 0.347 . . . . 0.0 110.075 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.33 175.49 5.59 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.574 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -101.69 130.57 48.09 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-O 120.752 0.31 . . . . 0.0 110.659 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.471 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 5.6 t80 -72.72 100.46 2.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.286 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.1 tp -84.25 -64.49 1.15 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.391 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.9 161.64 25.5 Favored Glycine 0 C--N 1.34 0.802 0 C-N-CA 118.919 -1.61 . . . . 0.0 113.899 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.453 ' HA ' ' HA ' ' A' ' 120' ' ' HIS . 9.1 t -115.14 115.85 27.43 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 177.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -118.35 136.26 53.83 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.963 0.411 . . . . 0.0 111.344 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.2 tp -89.34 124.17 34.19 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.825 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.7 mm -97.73 136.63 27.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.819 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -75.01 -52.11 11.91 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.021 0.439 . . . . 0.0 110.003 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -122.47 103.0 8.42 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.701 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.514 HD21 HD13 ' A' ' 108' ' ' ILE . 1.9 tm? -70.78 114.05 8.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.26 -178.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.49 ' HG3' ' HB2' ' A' ' 38' ' ' GLU . 5.9 ptp85 -120.49 86.02 2.49 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.215 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.19 -129.6 32.3 Favored Glycine 0 C--N 1.329 0.148 0 CA-C-N 115.558 -0.746 . . . . 0.0 113.612 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -98.08 7.89 45.6 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.492 0.663 . . . . 0.0 110.441 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.49 ' HB2' ' HG3' ' A' ' 35' ' ' ARG . 13.0 mm-40 -73.12 -46.11 53.06 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.3 m -57.47 -42.98 83.64 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.972 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.7 p -65.51 -44.22 87.69 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.404 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -63.4 -41.51 98.76 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.81 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -54.47 -59.52 4.57 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.146 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 47' ' ' MET . . . -60.5 -45.17 94.76 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.13 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.9 t -57.92 -56.37 22.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.74 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.84 -49.78 76.35 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.961 0.41 . . . . 0.0 111.681 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -65.32 -38.52 90.43 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.761 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.456 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 13.6 ttm -71.13 -44.68 65.1 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.292 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.431 ' NH2' ' HB3' ' A' ' 101' ' ' ASP . 5.4 ptp180 -64.39 -36.19 83.36 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.968 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.44 99.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.324 178.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -73.26 -30.22 63.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.706 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 38.8 t . . . . . 0 N--CA 1.469 0.52 0 C-N-CA 122.807 0.443 . . . . 0.0 111.856 -178.362 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.574 HG23 ' HB1' ' A' ' 24' ' ' ALA . 4.0 m . . . . . 0 N--CA 1.442 -0.842 0 CA-C-O 120.818 0.342 . . . . 0.0 110.17 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.06 138.25 84.34 Favored 'Trans proline' 0 C--O 1.241 0.645 0 C-N-CA 122.943 2.429 . . . . 0.0 113.177 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.2 m -74.52 132.46 41.86 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.49 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -126.2 137.64 57.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.998 -177.23 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 60.4 mt -89.04 107.69 18.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.401 0.62 . . . . 0.0 110.162 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.2 mt -87.21 103.68 15.66 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.786 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.557 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 15.1 m -100.63 97.9 8.52 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-O 121.014 0.435 . . . . 0.0 109.897 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.532 HG13 ' HB2' ' A' ' 19' ' ' CYS . 2.4 p -100.75 129.13 52.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.385 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.3 p -129.29 164.85 22.62 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.72 -10.75 29.57 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -113.11 5.44 17.1 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 148.51 -176.28 27.38 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 119.637 -1.268 . . . . 0.0 112.704 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.1 m -130.5 136.13 59.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.336 0.589 . . . . 0.0 111.392 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.557 ' HG3' ' HB2' ' A' ' 67' ' ' SER . 22.6 pttp -126.08 110.31 13.39 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.59 0.71 . . . . 0.0 109.629 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.49 ' HB3' HD11 ' A' ' 64' ' ' ILE . 21.9 m-85 -94.44 106.0 17.97 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.71 -178.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.0 mt -110.89 146.57 15.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.926 -174.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.512 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 23.0 t70 -70.48 145.53 50.87 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.03 -18.08 29.73 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.3 m -97.23 -50.69 4.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.789 0.328 . . . . 0.0 111.513 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -99.06 -10.6 22.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.852 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 68.2 mttm 62.78 27.66 16.15 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.54 0.686 . . . . 0.0 110.119 -177.102 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.495 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 63.4 t30 -75.61 135.14 40.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.511 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.745 ' H ' HD13 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -71.75 108.82 3.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.402 0.62 . . . . 0.0 109.569 175.775 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 84.6 mt -90.61 -53.47 8.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.192 -176.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -144.7 110.96 5.54 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.092 0.472 . . . . 0.0 111.59 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -115.74 120.08 38.14 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -145.24 148.46 33.53 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.6 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.59 154.97 40.51 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.6 tt -67.65 -14.42 18.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.376 0.607 . . . . 0.0 110.52 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.8 mmm-85 -64.54 -22.93 67.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.456 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -86.13 -7.08 58.84 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.248 0.547 . . . . 0.0 110.326 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.402 HG12 HG22 ' A' ' 109' ' ' THR . 18.9 mt -97.76 141.07 16.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.1 p -113.31 -34.58 5.59 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.2 t -153.38 166.61 32.12 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.941 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 107' ' ' TYR . . . -143.41 112.66 6.77 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -123.66 172.67 8.64 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.144 0.497 . . . . 0.0 111.337 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 25.0 pt20 -138.14 177.01 8.2 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.99 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.597 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 15.0 t70 -89.36 130.08 45.12 Favored Pre-proline 0 C--N 1.315 -0.926 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.598 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 30.5 Cg_exo -63.01 -37.71 51.38 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.05 2.5 . . . . 0.0 114.155 -178.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -92.14 -36.91 13.05 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.674 -0.411 . . . . 0.0 111.749 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.597 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 17.6 t70 -115.54 94.97 4.93 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mp -76.58 18.84 0.3 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.657 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -108.15 0.17 21.4 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.8 m -120.1 127.06 52.19 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.6 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.461 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 46.3 p90 -130.78 152.6 49.95 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.083 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.37 116.64 9.54 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.609 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.498 ' CZ ' ' HB3' ' A' ' 120' ' ' HIS . 50.5 p90 -94.81 148.14 22.61 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.944 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.514 HD13 HD21 ' A' ' 34' ' ' LEU . 56.9 mt -107.73 125.74 64.17 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.53 -177.05 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.402 HG22 HG12 ' A' ' 92' ' ' ILE . 12.8 p -117.1 151.75 36.17 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.942 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.23 81.51 1.62 Allowed 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.463 0.649 . . . . 0.0 110.478 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.75 117.67 12.56 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.653 -178.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.593 HD23 ' H ' ' A' ' 112' ' ' LEU . 2.2 pt? -58.21 -18.13 23.93 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.032 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -95.38 -22.97 17.38 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.663 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' A' ' 115' ' ' ASN . 26.9 t -92.52 -23.08 19.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.421 ' HB3' ' O ' ' A' ' 114' ' ' SER . 33.2 t30 73.62 -54.73 0.68 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.205 0.602 . . . . 0.0 111.161 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -79.16 162.95 25.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.637 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -81.97 130.77 35.17 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -176.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -95.65 119.83 34.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.834 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 97.8 m -101.8 106.71 17.74 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 107' ' ' TYR . 3.2 t-160 -98.36 116.64 31.02 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.4 p -104.47 133.15 49.35 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.38 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.49 ' CE1' HG21 ' A' ' 64' ' ' ILE . 48.4 m-85 -123.8 140.27 53.15 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.569 177.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.44 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 7.4 p -98.78 114.95 27.72 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.149 178.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.26 155.85 24.65 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.78 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -91.62 7.12 43.01 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -164.11 145.49 8.69 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.528 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 92.8 t -65.74 -45.42 91.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.721 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -59.05 -40.56 85.51 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-O 121.03 0.443 . . . . 0.0 109.836 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.613 HD21 ' HB3' ' A' ' 21' ' ' TYR . 5.4 tt -58.22 -53.31 59.75 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.689 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.86 91.8 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.184 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.37 -42.58 91.95 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.385 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -60.15 -48.25 82.49 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.5 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.7 mt -57.19 -45.65 84.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.462 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.447 HD11 ' HB2' ' A' ' 105' ' ' PHE . 41.1 mm -60.23 -41.23 86.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 CA-C-O 120.983 0.42 . . . . 0.0 110.482 178.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.4 tt -63.33 -51.12 67.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.179 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 24.8 m -58.08 -50.74 72.43 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.323 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 81.9 mt -57.62 -48.79 78.46 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.742 0.306 . . . . 0.0 111.434 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.6 -48.21 87.35 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.051 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -69.46 -35.57 75.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.692 0.282 . . . . 0.0 111.223 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.417 ' O ' HG12 ' A' ' 143' ' ' VAL . . . -66.86 -40.55 87.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.862 0.363 . . . . 0.0 110.74 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -71.43 -32.2 68.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.227 0.537 . . . . 0.0 109.913 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.24 -44.28 79.83 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.149 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' ' 140' ' ' ALA . 7.3 p -67.76 -23.29 29.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.252 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.206 177.683 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.534 ' HB3' ' HB2' ' A' ' 69' ' ' SER . 68.7 p . . . . . 0 N--CA 1.446 -0.661 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.635 ' SG ' HG13 ' A' ' 68' ' ' VAL . 32.0 p -99.31 118.15 35.33 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.984 178.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -108.87 117.35 33.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.208 -177.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.471 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 65.4 m-85 -138.74 179.61 6.38 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.451 ' NZ ' ' HB2' ' A' ' 22' ' ' LYS . 9.2 mtmp? -115.98 114.97 25.34 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.01 0.433 . . . . 0.0 110.403 178.121 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.87 170.9 7.63 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.438 ' HB3' ' OG1' ' A' ' 123' ' ' THR . . . -108.25 124.08 49.76 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.688 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.444 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 1.8 t80 -67.34 99.44 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.457 HD22 HG23 ' A' ' 123' ' ' THR . 33.3 tp -84.89 -55.53 4.03 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.515 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.15 160.04 30.54 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 118.94 -1.6 . . . . 0.0 113.833 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.3 p -132.09 111.16 11.24 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -113.14 144.57 42.43 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.91 0.386 . . . . 0.0 111.006 -176.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.502 HD23 ' CD2' ' A' ' 118' ' ' TYR . 3.3 tm? -105.57 121.48 44.06 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.2 mm -96.67 131.42 43.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.718 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.45 ' HG3' ' HG2' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -58.6 -49.91 75.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.536 -179.008 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.45 ' HG2' ' HG3' ' A' ' 32' ' ' LYS . 16.9 pt-20 -160.63 123.17 3.24 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.978 HD11 ' HB2' ' A' ' 38' ' ' GLU . 2.2 tm? -176.56 139.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.65 ' N ' HD13 ' A' ' 34' ' ' LEU . 5.3 ptp180 -118.53 120.54 37.82 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.571 177.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.78 -159.01 14.04 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 119.889 -1.148 . . . . 0.0 114.925 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 15.2 t -79.04 -13.3 59.86 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.484 0.714 . . . . 0.0 112.84 -174.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.978 ' HB2' HD11 ' A' ' 34' ' ' LEU . 53.8 mm-40 -53.24 -33.9 54.89 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.975 0.417 . . . . 0.0 110.636 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.59 ' OG ' HD12 ' A' ' 34' ' ' LEU . 14.5 m -56.37 -48.25 77.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.858 176.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 p -68.53 -40.45 80.75 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 37' ' ' THR . 18.9 mm-40 -57.74 -49.1 77.68 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.497 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.31 -50.14 64.64 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.1 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.517 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -58.42 -52.09 67.09 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.014 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.446 ' HA ' ' HE3' ' A' ' 47' ' ' MET . 8.3 t -56.62 -52.81 63.43 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.345 -178.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.98 -59.46 4.72 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -65.96 -53.41 39.37 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -176.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.517 ' HB3' ' O ' ' A' ' 43' ' ' ALA . 2.2 tmm? -65.06 -34.68 79.01 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -64.36 -47.88 77.65 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.75 -13.78 62.6 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.322 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -84.86 -46.73 11.05 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.966 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.119 -177.825 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.432 ' HB ' ' O ' ' A' ' 25' ' ' TYR . 27.5 m . . . . . 0 C--O 1.24 0.581 0 CA-C-O 120.451 0.167 . . . . 0.0 110.733 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.23 144.12 67.35 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.939 2.426 . . . . 0.0 112.512 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.3 m -87.05 135.01 33.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.607 HG21 ' CE1' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -131.63 133.63 61.37 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 120.904 0.383 . . . . 0.0 110.348 -178.283 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.3 mt -77.75 111.7 14.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.478 0.656 . . . . 0.0 110.389 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.39 101.04 13.26 Favored 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.201 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.536 ' HA ' ' O ' ' A' ' 19' ' ' CYS . 46.4 t -119.47 122.56 41.98 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 121.138 0.494 . . . . 0.0 110.365 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.635 HG13 ' SG ' ' A' ' 19' ' ' CYS . 0.3 OUTLIER -125.2 130.01 73.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.248 -177.891 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.534 ' HB2' ' HB3' ' A' ' 18' ' ' SER . 22.2 t -121.24 158.29 28.42 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.193 177.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.81 -15.45 62.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.027 0.442 . . . . 0.0 111.051 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.5 22.86 13.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.574 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 147.42 150.06 5.11 Favored Glycine 0 CA--C 1.506 -0.479 0 C-N-CA 119.52 -1.324 . . . . 0.0 113.181 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.423 HG22 HG23 ' A' ' 68' ' ' VAL . 35.2 t -117.78 138.72 47.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.527 ' HG3' ' HB3' ' A' ' 67' ' ' SER . 0.5 OUTLIER -130.52 133.16 46.04 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.603 0.716 . . . . 0.0 111.697 -178.11 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.549 ' HB3' HD11 ' A' ' 64' ' ' ILE . 17.7 m-85 -119.57 103.58 9.54 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.928 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.421 ' O ' HG12 ' A' ' 64' ' ' ILE . 4.2 mp -112.91 143.7 22.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.465 ' HB3' ' H ' ' A' ' 82' ' ' ASN . 9.5 t70 -67.61 132.7 48.04 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.28 -24.55 39.97 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.4 m -98.63 -44.24 6.52 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 120.914 0.388 . . . . 0.0 111.1 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -91.33 -13.96 31.63 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.63 -176.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt 63.31 19.13 11.5 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.257 0.551 . . . . 0.0 110.968 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.465 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 56.2 t30 -81.38 135.45 35.66 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.373 -177.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.784 ' H ' HD13 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -75.14 92.08 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 121.899 0.857 . . . . 0.0 109.721 175.652 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.7 mt -69.77 -52.08 34.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.037 -176.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -165.82 139.25 4.34 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.523 178.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -151.24 124.37 8.75 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -147.24 176.04 10.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.959 0.409 . . . . 0.0 111.303 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -69.62 150.15 47.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.687 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.9 tp -60.15 -36.15 66.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-O 120.683 0.278 . . . . 0.0 111.387 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -73.43 1.17 10.31 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -84.68 -20.79 30.67 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.9 mt -79.59 108.08 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.053 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.3 t -69.87 -39.59 76.22 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.838 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.582 ' HB2' ' CG1' ' A' ' 108' ' ' ILE . 17.1 m -150.61 149.72 30.25 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 120.79 0.328 . . . . 0.0 111.723 -178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.82 109.85 5.58 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.07 142.45 42.39 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.015 0.436 . . . . 0.0 112.049 -175.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.44 ' H ' ' CD ' ' A' ' 97' ' ' GLN . 5.2 pm0 -92.83 143.82 25.89 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 174.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -86.72 150.04 49.8 Favored Pre-proline 0 C--N 1.304 -1.405 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -173.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.54 -36.41 34.06 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.392 2.728 . . . . 0.0 113.674 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -70.97 -20.35 62.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -157.75 114.86 2.96 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.868 0.366 . . . . 0.0 110.637 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.8 -9.86 58.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.5 p -97.03 2.6 51.61 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.42 0.629 . . . . 0.0 110.085 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 89.0 m -110.66 122.44 47.79 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.514 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.429 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 41.0 p90 -132.84 143.74 49.74 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.979 0.418 . . . . 0.0 111.213 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -130.73 139.8 50.29 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.463 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 120' ' ' HIS . 43.2 p90 -122.48 150.56 42.35 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.745 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.582 ' CG1' ' HB2' ' A' ' 94' ' ' CYS . 1.4 mm -107.8 116.61 51.63 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.9 p -115.6 160.23 20.27 Favored 'General case' 0 C--N 1.311 -1.075 0 O-C-N 123.336 0.397 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.14 76.93 1.65 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.927 0.87 . . . . 0.0 110.587 177.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.7 172.13 9.24 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.498 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.21 -12.04 60.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.34 0.591 . . . . 0.0 110.008 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' A' ' 113' ' ' LYS . 0.5 OUTLIER -104.0 2.55 32.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.672 176.779 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.8 m -132.44 77.03 1.73 Allowed 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.549 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -71.01 -18.52 62.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.343 0.592 . . . . 0.0 109.779 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.458 ' HB2' HD21 ' A' ' 30' ' ' LEU . 27.1 m80 -94.07 171.78 8.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.273 175.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -82.3 106.11 13.92 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.101 0.477 . . . . 0.0 111.214 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.502 ' CD2' HD23 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -92.25 122.42 34.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.555 179.704 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 19.7 p -109.3 114.53 28.29 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.311 0.576 . . . . 0.0 110.349 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 107' ' ' TYR . 3.6 t-160 -107.33 119.24 38.86 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.336 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.476 HG11 ' CE ' ' A' ' 47' ' ' MET . 7.8 p -109.47 131.5 60.18 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 CA-C-O 121.259 0.552 . . . . 0.0 111.461 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.607 ' CE1' HG21 ' A' ' 64' ' ' ILE . 56.9 m-85 -124.19 148.32 47.35 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.594 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.457 HG23 HD22 ' A' ' 26' ' ' LEU . 22.9 p -110.95 130.98 55.42 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.405 177.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.9 162.19 14.52 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.799 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -92.7 3.3 55.86 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.222 0.534 . . . . 0.0 109.968 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -160.75 138.04 9.19 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.633 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 86.4 t -63.65 -46.12 95.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.682 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.99 -38.02 87.03 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.062 0.458 . . . . 0.0 110.317 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.7 -52.08 66.62 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.488 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.44 97.46 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.889 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.87 94.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.827 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.35 -38.57 91.5 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.257 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 67.1 mt -61.31 -47.29 94.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 25.9 mm -58.17 -45.23 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.405 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 75.4 mt -58.95 -51.42 70.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.97 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.9 m -57.48 -43.89 84.45 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.692 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.94 -46.61 88.56 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.903 0.382 . . . . 0.0 110.342 177.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.67 -49.63 76.42 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.186 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.77 -38.74 86.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.731 0.301 . . . . 0.0 110.879 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.83 92.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.352 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -74.35 -32.1 62.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.073 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.68 -47.11 76.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.53 -12.05 15.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.093 0.473 . . . . 0.0 110.629 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.005 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 N--CA 1.444 -0.756 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.8 m -74.85 111.99 10.62 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -91.09 113.43 25.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.575 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -119.1 123.2 43.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.468 0.175 . . . . 0.0 110.827 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -83.36 108.06 16.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.879 0.371 . . . . 0.0 110.363 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.77 167.14 10.59 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.57 ' HB1' ' CG2' ' A' ' 61' ' ' VAL . . . -105.16 118.41 36.48 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.519 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.483 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -70.36 107.52 3.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.069 -178.124 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.406 ' HB3' HG13 ' A' ' 121' ' ' VAL . 33.6 tp -86.33 -52.87 5.35 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.361 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.82 150.61 8.96 Favored Glycine 0 C--N 1.336 0.569 0 C-N-CA 119.444 -1.36 . . . . 0.0 113.514 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.3 p -106.12 104.47 14.18 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.6 tpp -109.58 133.47 53.07 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 120.971 0.415 . . . . 0.0 111.216 -175.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.6 tp -84.92 117.27 23.82 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.053 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.6 mm -87.75 127.73 40.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.636 -175.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -81.08 -58.04 3.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.546 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -96.6 99.72 11.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.609 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -80.72 107.17 13.3 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.596 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.466 ' HG3' ' HB2' ' A' ' 38' ' ' GLU . 13.0 ptp180 -127.7 29.22 5.51 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.29 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.14 -143.69 18.93 Favored Glycine 0 C--N 1.324 -0.125 0 CA-C-N 115.862 -0.608 . . . . 0.0 113.507 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 t -67.33 -12.62 60.62 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.331 0.586 . . . . 0.0 111.344 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.466 ' HB2' ' HG3' ' A' ' 35' ' ' ARG . 19.6 mm-40 -66.5 -41.01 89.54 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.204 0.526 . . . . 0.0 109.716 176.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.0 m -64.38 -39.71 94.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.108 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.421 HG22 ' SG ' ' A' ' 119' ' ' CYS . 61.2 p -66.4 -43.9 84.52 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.519 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -62.19 -40.29 95.55 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.059 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' A' ' 46' ' ' LYS . 21.8 t70 -58.88 -53.2 61.06 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.368 178.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.09 -51.46 67.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.242 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.436 ' SG ' HG21 ' A' ' 104' ' ' THR . 45.6 t -54.11 -57.4 11.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.099 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.28 -29.5 69.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 1.4 tppp? -60.81 -65.2 0.73 Allowed 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.167 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -66.08 -32.64 74.23 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.676 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 48' ' ' ARG . 44.3 ttt180 -61.39 -47.53 85.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.735 0.302 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.78 -11.87 54.86 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -94.52 -41.19 9.48 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.889 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 48.6 t . . . . . 0 N--CA 1.464 0.266 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.833 -177.032 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.572 ' HB ' ' HD2' ' A' ' 62' ' ' PRO . 29.7 m . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.572 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 85.5 Cg_exo -48.77 107.4 0.14 Allowed 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.442 2.095 . . . . 0.0 113.48 -177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.2 m -76.35 127.05 32.11 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.467 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -124.96 138.51 54.0 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.328 -177.006 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.511 HG13 ' HB2' ' A' ' 78' ' ' ALA . 35.9 mt -89.73 99.82 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-O 120.994 0.426 . . . . 0.0 110.211 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.12 95.64 4.96 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.531 ' HB3' ' HG3' ' A' ' 74' ' ' LYS . 36.8 t -97.65 109.56 22.29 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-O 121.509 0.671 . . . . 0.0 110.182 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 p -112.42 134.29 55.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.314 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.1 t -140.1 -179.81 6.19 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.35 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.62 105.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.951 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.524 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 49.2 mtmt 68.75 4.48 4.43 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.363 -0.835 . . . . 0.0 113.238 177.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -137.94 136.48 8.18 Favored Glycine 0 CA--C 1.508 -0.375 0 C-N-CA 119.526 -1.321 . . . . 0.0 113.222 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.1 t -131.07 124.83 56.59 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 CA-C-O 121.4 0.619 . . . . 0.0 110.839 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.531 ' HG3' ' HB3' ' A' ' 67' ' ' SER . 14.5 pttp -119.88 126.01 49.88 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.664 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.467 ' HB3' HD11 ' A' ' 64' ' ' ILE . 4.5 m-85 -106.35 100.05 9.6 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.184 -175.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.1 mt -107.82 144.91 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.556 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.733 ' HB3' ' H ' ' A' ' 82' ' ' ASN . 17.1 t70 -76.1 133.53 40.26 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.507 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.511 ' HB2' HG13 ' A' ' 65' ' ' ILE . . . -91.03 -10.02 43.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -177.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.7 m -91.4 -45.62 8.46 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -135.04 31.44 3.26 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.696 -176.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt 44.04 44.59 6.26 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.525 0.73 . . . . 0.0 112.384 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.733 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 53.2 t30 -93.14 134.57 35.17 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.538 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.6 tp -79.33 92.46 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.677 0.751 . . . . 0.0 109.331 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.42 -57.17 8.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.289 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.61 159.82 43.21 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.436 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -154.39 113.52 3.69 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -152.71 144.38 23.5 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.475 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.45 151.56 32.31 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.9 tt -63.46 -16.0 17.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.025 0.44 . . . . 0.0 111.269 -177.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -69.51 -14.97 63.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.158 0.504 . . . . 0.0 110.396 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -80.45 -18.05 49.91 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.2 mt -88.96 126.56 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.02 177.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.3 t -98.02 -28.79 13.62 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.46 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 53.6 t -152.81 151.67 30.71 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.054 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.25 106.13 5.17 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.08 142.72 50.95 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.986 0.422 . . . . 0.0 112.025 -176.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 21.3 pt20 -103.5 156.95 17.38 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.632 176.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.09 139.99 79.9 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-O 121.15 0.5 . . . . 0.0 111.916 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -68.03 -39.23 11.18 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.705 2.27 . . . . 0.0 112.737 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -83.23 -17.17 43.66 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.593 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -147.65 111.21 4.97 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.907 0.384 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.8 mp -85.66 9.56 15.87 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.5 t -100.37 8.23 43.78 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.436 HG21 ' SG ' ' A' ' 44' ' ' CYS . 15.2 m -132.01 134.98 46.19 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.51 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 43.4 p90 -141.88 152.04 43.23 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.938 0.399 . . . . 0.0 110.846 -177.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.35 124.68 16.55 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.393 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -105.46 144.39 32.29 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.116 0.484 . . . . 0.0 110.334 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.505 ' CG2' ' HB3' ' A' ' 117' ' ' HIS . 57.8 mt -109.68 125.36 66.85 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.198 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.0 p -106.14 149.4 26.81 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.875 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -98.99 69.12 1.75 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.622 0.725 . . . . 0.0 109.641 177.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -82.5 102.66 11.5 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.272 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.488 HD23 ' H ' ' A' ' 112' ' ' LEU . 2.5 pt? -61.36 -23.13 65.55 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.773 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.54 -23.25 67.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.971 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.3 m -115.99 -1.36 12.53 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.605 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 67.98 -61.85 0.37 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.039 0.936 . . . . 0.0 112.138 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -74.55 170.62 15.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.025 0.441 . . . . 0.0 110.502 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.505 ' HB3' ' CG2' ' A' ' 108' ' ' ILE . 93.8 m-70 -90.58 125.21 35.55 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.982 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -88.2 119.26 28.44 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.02 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.421 ' SG ' HG22 ' A' ' 40' ' ' THR . 44.9 t -92.53 110.64 22.06 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 177.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.436 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 76.6 m-70 -97.6 104.32 16.34 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.406 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.2 p -97.33 128.92 48.13 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 0 CA-C-O 121.142 0.496 . . . . 0.0 111.13 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.483 ' CD2' ' HA ' ' A' ' 25' ' ' TYR . 85.8 m-85 -128.66 142.09 51.14 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.093 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.404 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 27.8 p -98.39 125.28 43.49 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.435 177.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.9 152.4 22.11 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.066 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -74.45 -22.55 59.06 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.452 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -146.65 153.43 40.3 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.851 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.61 -45.76 96.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.9 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.416 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 11.4 t30 -62.41 -35.11 78.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.537 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.407 ' O ' HG13 ' A' ' 133' ' ' ILE . 2.9 tm? -62.33 -47.6 83.53 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.12 -45.16 94.71 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.51 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.34 -43.56 88.35 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.892 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 128' ' ' ASN . 43.7 mm-40 -59.3 -46.39 88.69 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.982 178.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 129' ' ' LEU . 48.4 mt -57.64 -53.12 48.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 179.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 41.7 mm -60.84 -38.39 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.88 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.7 -48.7 73.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.05 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 14.4 m -63.76 -39.48 94.38 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.543 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.29 -45.55 94.01 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.054 0.454 . . . . 0.0 109.876 175.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.521 ' HA2' ' CZ ' ' A' ' 141' ' ' PHE . . . -54.74 -47.59 70.48 Favored Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.603 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.7 -41.44 98.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.884 0.374 . . . . 0.0 110.783 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.91 -43.66 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.432 -177.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.521 ' CZ ' ' HA2' ' A' ' 138' ' ' GLY . 3.0 p90 -88.63 -19.01 26.79 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 119.173 -1.011 . . . . 0.0 111.795 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 138' ' ' GLY . 10.9 tp10 -67.42 -44.13 79.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 7.4 p -70.16 -15.78 19.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.544 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 71' ' ' LYS . . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 121.238 0.542 . . . . 0.0 110.134 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.2 p . . . . . 0 N--CA 1.441 -0.895 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.439 ' HB2' HG13 ' A' ' 68' ' ' VAL . 72.0 m -113.26 111.99 22.97 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.004 -177.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.32 107.14 15.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.422 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -131.25 172.43 12.16 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 121.137 -0.225 . . . . 0.0 110.976 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 56.4 mttp -118.59 145.23 45.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.104 0.478 . . . . 0.0 110.809 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.09 167.2 23.29 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.227 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.72 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -95.98 115.97 28.23 Favored 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.5 119.48 14.73 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -177.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.481 ' HB3' HG13 ' A' ' 121' ' ' VAL . 25.5 tp -86.18 -50.73 6.77 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.592 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.21 156.96 13.75 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 118.901 -1.619 . . . . 0.0 114.593 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.5 m -100.98 107.21 18.62 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.8 tpp -112.57 136.2 52.39 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.599 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.9 tp -85.04 130.57 34.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.007 0.432 . . . . 0.0 110.378 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.4 mm -102.09 138.14 27.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.193 -177.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -87.77 -54.47 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.231 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -110.94 124.35 51.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.217 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -83.65 100.98 11.19 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' A' ' 38' ' ' GLU . 8.0 ptp180 -136.26 83.7 2.03 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.78 -176.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.58 -135.42 37.72 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-N 115.541 -0.754 . . . . 0.0 113.401 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.3 t -89.96 -0.3 57.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.906 0.384 . . . . 0.0 110.925 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.408 ' HB3' ' HG3' ' A' ' 35' ' ' ARG . 6.8 tp10 -62.04 -42.4 99.14 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 m -62.81 -46.94 85.63 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.787 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.506 HG23 HD11 ' A' ' 108' ' ' ILE . 28.5 p -64.76 -34.93 79.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.758 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -73.08 -40.91 64.64 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.854 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 46' ' ' LYS . 14.6 t70 -55.93 -50.22 71.32 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 176.34 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.68 -57.38 13.18 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.927 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 98' ' ' ASP . 49.8 t -51.76 -56.73 12.12 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.496 -178.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.479 ' HA ' ' HG3' ' A' ' 48' ' ' ARG . . . -57.08 -42.73 81.2 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 120.891 0.377 . . . . 0.0 111.082 -179.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 16.8 ttmm -56.98 -50.02 73.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.891 -178.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -74.4 -42.87 58.51 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.479 ' HG3' ' HA ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -63.47 -23.33 67.35 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.879 -177.498 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.96 -42.47 5.32 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -95.95 -33.64 12.1 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -175.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -174.936 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.72 HG23 ' HB1' ' A' ' 24' ' ' ALA . 0.0 OUTLIER . . . . . 0 CA--C 1.555 1.143 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -66.23 103.93 0.69 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 121.569 1.513 . . . . 0.0 112.204 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.4 m -69.55 116.78 10.36 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.863 HD11 ' HB3' ' A' ' 75' ' ' PHE . 1.3 tt -108.93 147.09 13.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.82 -173.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.446 ' N ' HG12 ' A' ' 64' ' ' ILE . 3.3 mp -94.09 105.99 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.3 mt -89.45 103.05 15.72 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.779 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.509 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 35.0 t -105.15 115.35 30.13 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 121.487 0.661 . . . . 0.0 110.324 178.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.439 HG13 ' HB2' ' A' ' 19' ' ' CYS . 5.3 p -120.82 138.5 51.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.135 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.6 m -140.87 -178.53 5.59 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.935 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.59 100.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.298 0.374 . . . . 0.0 111.228 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 144' ' ' ALA . 46.6 mmtm 72.25 1.86 4.11 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.907 0.883 . . . . 0.0 112.299 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.32 142.68 17.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.369 -0.92 . . . . 0.0 113.247 -176.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.529 ' HB ' ' O ' ' A' ' 87' ' ' HIS . 52.0 t -132.53 115.78 26.24 Favored 'Isoleucine or valine' 0 C--O 1.248 1.016 0 CA-C-O 121.231 0.539 . . . . 0.0 111.033 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 67' ' ' SER . 74.8 mmtt -128.33 98.29 5.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.803 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.863 ' HB3' HD11 ' A' ' 64' ' ' ILE . 20.7 m-30 -108.99 113.63 26.68 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.356 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.4 mp -120.82 149.26 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-O 120.877 0.37 . . . . 0.0 111.512 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.527 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 8.9 t70 -78.79 155.59 29.19 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 123.554 0.742 . . . . 0.0 111.045 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.25 -33.57 13.21 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 37.8 m -74.08 -54.34 8.03 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -175.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -107.59 -9.85 15.8 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.617 0.246 . . . . 0.0 110.812 -177.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 8.7 mtmp? 71.04 26.51 3.51 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.689 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -73.6 136.17 43.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.588 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.41 HD12 ' N ' ' A' ' 83' ' ' ILE . 3.9 mp -80.7 118.46 28.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.89 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.21 -48.29 19.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.824 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.73 113.28 8.49 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 120.452 -0.499 . . . . 0.0 112.26 -177.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -117.72 99.63 7.07 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.174 175.505 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.529 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 7.6 p80 -166.78 165.53 16.25 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.305 -177.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.415 ' CD ' HH21 ' A' ' 90' ' ' ARG . 42.1 mt-10 -81.9 165.88 20.4 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 45.9 mt -64.38 -25.59 38.32 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-O 121.136 0.494 . . . . 0.0 109.883 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.415 HH21 ' CD ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -65.8 -13.05 58.74 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.325 177.739 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -86.68 -18.6 30.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.258 0.551 . . . . 0.0 109.764 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.426 ' HA ' HG22 ' A' ' 109' ' ' THR . 46.6 mt -84.25 114.4 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.326 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.2 m -86.73 -26.58 24.14 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.868 -175.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 18.2 t -161.82 161.04 28.88 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.653 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.01 136.43 25.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -151.47 -176.73 5.71 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.974 0.416 . . . . 0.0 111.428 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 11.2 pt20 -146.76 172.85 12.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.781 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.637 ' OD1' ' HG2' ' A' ' 100' ' ' GLU . 12.7 t70 -86.04 137.16 35.44 Favored Pre-proline 0 C--N 1.323 -0.582 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.797 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 32.1 Cg_exo -63.81 -38.83 36.95 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.128 2.552 . . . . 0.0 113.92 179.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.637 ' HG2' ' OD1' ' A' ' 98' ' ' ASP . 11.5 pt-20 -88.51 -35.72 16.82 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.715 -176.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -110.64 103.59 12.18 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.164 0.507 . . . . 0.0 109.969 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 66.4 mt -80.65 5.48 15.46 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.564 -176.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.2 t -106.72 -0.25 23.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.157 0.504 . . . . 0.0 110.237 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 36.2 m -113.56 125.49 54.24 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.284 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 37.2 p90 -130.12 155.6 45.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.674 -178.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -148.58 134.71 19.27 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.536 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -120.27 148.73 43.34 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.013 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.506 HD11 HG23 ' A' ' 40' ' ' THR . 50.0 mt -112.41 127.49 69.59 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.665 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.426 HG22 ' HA ' ' A' ' 92' ' ' ILE . 3.6 p -111.31 -171.78 1.9 Allowed 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.667 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -132.86 124.92 28.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.032 176.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -111.79 121.04 44.0 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.004 0.431 . . . . 0.0 110.482 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -47.74 81.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.327 -174.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.548 ' HD3' ' H ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -80.83 2.25 27.18 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.114 -0.634 . . . . 0.0 112.38 -177.36 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.5 t -100.49 -34.53 9.89 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 66.24 14.96 9.92 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.369 -177.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.14 -169.52 2.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.625 178.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.446 ' HB3' ' CG2' ' A' ' 108' ' ' ILE . 93.3 m-70 -117.84 134.67 54.7 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 120.769 0.318 . . . . 0.0 111.225 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -98.04 127.05 43.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.456 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.1 t -100.5 112.98 25.41 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 177.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -97.14 106.54 18.89 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.481 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.5 p -104.52 130.57 55.18 Favored 'Isoleucine or valine' 0 C--O 1.248 0.979 0 CA-C-O 121.129 0.49 . . . . 0.0 111.247 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -129.08 144.01 51.05 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.54 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 33.3 p -103.63 110.23 22.22 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.9 164.85 25.78 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.482 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -96.96 2.14 51.21 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.958 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -155.37 134.84 12.5 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.492 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 87.1 t -64.08 -55.18 23.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.002 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.13 -37.94 81.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.073 -178.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.466 ' O ' HG13 ' A' ' 133' ' ' ILE . 3.1 tm? -63.84 -46.08 86.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.272 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.84 -49.99 75.55 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.099 0.476 . . . . 0.0 110.669 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.01 -34.5 74.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.773 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -73.2 -29.76 63.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.389 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 129' ' ' LEU . 64.4 mt -64.92 -46.09 92.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 174.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 44.7 mm -60.4 -39.56 81.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.231 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 14.5 tp -59.47 -47.32 85.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.91 177.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 43.5 m -58.27 -54.08 51.0 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.367 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 65.5 mt -56.1 -51.28 68.48 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 121.101 0.477 . . . . 0.0 110.956 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -55.81 -54.42 35.2 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.425 -0.807 . . . . 0.0 113.291 -177.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -65.81 -36.9 84.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.919 0.36 . . . . 0.0 111.454 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.01 -30.97 72.01 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.725 0.297 . . . . 0.0 111.132 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -88.52 -38.12 15.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.947 0.403 . . . . 0.0 110.804 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.27 -40.86 96.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.387 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 11.4 p -56.52 -20.54 11.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.428 ' HB2' ' HE3' ' A' ' 71' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.756 0.312 . . . . 0.0 111.33 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.446 -0.649 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.4 m -133.79 132.96 41.1 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 120.799 0.333 . . . . 0.0 110.805 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -102.72 115.17 30.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.369 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -127.06 121.97 33.04 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.472 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -84.33 106.86 16.26 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.165 0.507 . . . . 0.0 110.802 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.77 179.36 3.99 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.727 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.535 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -113.53 130.42 56.35 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.922 177.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.414 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -77.39 106.37 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.848 0.356 . . . . 0.0 110.424 -177.272 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.445 ' HB3' HG13 ' A' ' 121' ' ' VAL . 52.1 tp -79.21 -57.82 3.53 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.73 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.53 164.73 29.23 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 119.53 -1.319 . . . . 0.0 113.323 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.6 p -113.51 122.03 46.05 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -115.71 140.01 49.61 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 121.072 0.463 . . . . 0.0 111.023 -177.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -81.61 127.42 32.86 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.486 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.485 ' HB ' ' HB2' ' A' ' 117' ' ' HIS . 24.3 mm -106.22 119.5 55.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.276 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -56.99 -57.39 12.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.366 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -138.88 153.64 48.31 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.152 0.501 . . . . 0.0 111.714 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.38 115.56 29.52 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.01 -177.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -116.37 34.13 5.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.26 -146.77 20.44 Favored Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 -176.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.462 ' HB ' HE22 ' A' ' 41' ' ' GLN . 3.1 p -74.4 -0.62 17.89 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.239 0.542 . . . . 0.0 111.467 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -57.86 -45.66 85.99 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -66.21 -42.51 88.66 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.699 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.412 HG23 ' CD1' ' A' ' 108' ' ' ILE . 2.5 p -61.75 -54.24 45.19 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.085 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.462 HE22 ' HB ' ' A' ' 37' ' ' THR . 0.7 OUTLIER -66.32 -29.57 69.81 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.428 -179.684 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.22 -62.58 1.73 Allowed 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.338 0.59 . . . . 0.0 109.878 176.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.17 -51.47 68.91 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.042 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.1 t -54.85 -52.81 61.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.681 -177.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.48 -38.86 91.48 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 121.144 -0.223 . . . . 0.0 111.404 -177.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -62.99 -50.39 70.93 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -71.86 -33.66 68.6 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.332 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 101' ' ' ASP . 1.0 OUTLIER -63.47 -44.95 92.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.179 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.46 -27.57 65.35 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.13 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -69.28 -44.86 70.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.644 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 C--O 1.233 0.227 0 CA-C-O 121.005 0.431 . . . . 0.0 110.721 178.167 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.535 HG23 ' HB1' ' A' ' 24' ' ' ALA . 2.8 m . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 120.724 0.297 . . . . 0.0 111.456 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.56 155.07 64.04 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.064 2.509 . . . . 0.0 113.58 -177.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.2 m -77.77 147.32 35.37 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.479 -178.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.647 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -144.82 139.16 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.103 -179.247 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.4 mp -83.15 110.35 18.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.065 0.459 . . . . 0.0 111.221 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -84.72 92.91 8.32 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 174.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.8 t -98.03 99.51 10.79 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 121.671 0.748 . . . . 0.0 110.37 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 p -99.84 121.37 50.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 114.843 -1.072 . . . . 0.0 111.56 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.577 ' HB3' ' O ' ' A' ' 72' ' ' GLY . 32.4 t -128.22 150.52 49.99 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.556 177.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.67 -12.63 60.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.979 0.418 . . . . 0.0 110.784 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.437 ' HD3' ' N ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -110.77 11.18 22.59 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 179.311 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.577 ' O ' ' HB3' ' A' ' 69' ' ' SER . . . 148.09 139.77 3.25 Favored Glycine 0 C--O 1.223 -0.578 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.687 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.3 t -111.56 124.24 68.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-O 121.031 0.444 . . . . 0.0 109.912 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.472 ' HE2' HD11 ' A' ' 76' ' ' ILE . 21.4 ptmt -121.86 147.27 46.2 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.438 -177.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.647 ' HB3' HD11 ' A' ' 64' ' ' ILE . 3.4 m-85 -124.94 121.65 35.07 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.74 -177.035 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.472 HD11 ' HE2' ' A' ' 74' ' ' LYS . 2.4 mp -128.29 143.21 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.392 -178.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.3 145.18 42.02 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.089 0.471 . . . . 0.0 111.058 178.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.77 -24.06 19.53 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -177.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.1 p -75.97 -52.92 9.22 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -174.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -116.32 3.24 13.34 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.428 -0.17 . . . . 0.0 111.085 -176.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt 67.12 32.82 5.95 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.976 0.893 . . . . 0.0 109.143 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -76.95 125.61 29.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.049 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.686 ' H ' HD13 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -75.81 123.6 32.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-O 121.003 0.43 . . . . 0.0 110.438 179.012 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.459 ' HB ' ' O ' ' A' ' 75' ' ' PHE . 1.8 mp -82.52 -58.99 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 175.13 166.61 0.3 Allowed 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.041 0.448 . . . . 0.0 111.62 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.86 129.57 36.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.35 175.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -136.42 148.1 47.6 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -71.36 148.22 47.23 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.238 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.5 tp -60.45 -34.48 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.282 0.563 . . . . 0.0 110.598 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -64.44 -13.98 54.44 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.019 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.578 ' ND2' ' HB ' ' A' ' 109' ' ' THR . 9.6 t30 -91.84 -16.47 26.7 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.484 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.1 mt -78.49 105.02 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.9 t -75.31 -29.62 60.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.257 -174.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.0 t -154.66 140.2 17.87 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.032 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.53 106.23 8.38 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.36 -174.06 3.29 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.823 0.344 . . . . 0.0 110.923 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 5.0 pm0 -146.63 177.93 8.69 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.159 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.448 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 14.2 t70 -70.26 139.61 87.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -57.47 -35.31 98.86 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.912 2.408 . . . . 0.0 113.518 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -114.49 -28.11 7.3 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 10.4 t70 -96.51 99.92 11.54 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.156 0.503 . . . . 0.0 110.491 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.5 mt -81.04 15.12 1.96 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.462 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.8 t -115.15 4.92 14.7 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.2 m -125.94 126.06 43.76 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.883 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 122' ' ' PHE . 43.1 p90 -125.91 152.72 45.22 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.151 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -143.73 122.23 12.45 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.476 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 49.1 p90 -114.16 146.24 40.6 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.328 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.412 ' CD1' HG23 ' A' ' 40' ' ' THR . 52.3 mt -115.13 127.93 72.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.794 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.578 ' HB ' ' ND2' ' A' ' 91' ' ' ASN . 80.9 p -108.13 144.04 36.08 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.086 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -114.54 70.64 0.74 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.618 0.723 . . . . 0.0 109.459 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.445 ' HA ' ' OD1' ' A' ' 91' ' ' ASN . 6.9 m-20 -72.64 127.45 32.6 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.326 -179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.46 -20.95 64.65 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.274 0.559 . . . . 0.0 109.654 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -75.34 -23.72 57.25 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.088 176.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.3 t -97.04 -41.31 8.43 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.972 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 40.5 t30 72.94 -46.26 0.64 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.608 0.763 . . . . 0.0 110.355 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -82.54 145.17 29.9 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.681 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.485 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 52.4 m80 -71.42 129.01 37.74 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 -178.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.1 119.98 38.26 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.864 0.364 . . . . 0.0 111.262 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 49.4 t -107.35 119.4 39.29 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 44.2 m-70 -106.99 116.71 32.4 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.393 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.445 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.1 p -106.31 132.76 52.66 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 CA-C-O 121.255 0.55 . . . . 0.0 110.831 -178.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 65.9 m-85 -129.92 141.83 50.73 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.889 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 81.7 p -103.07 118.13 36.11 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.56 161.37 26.0 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.408 ' CE1' ' HB2' ' A' ' 24' ' ' ALA . 30.5 m-85 -90.71 -2.69 57.81 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 120.762 0.315 . . . . 0.0 110.69 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -155.57 148.0 23.87 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.487 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 66.0 t -61.26 -41.59 90.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.026 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 132' ' ' GLU . 3.5 t-20 -65.73 -41.4 92.28 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.488 ' O ' HG13 ' A' ' 133' ' ' ILE . 2.0 tm? -57.19 -49.21 76.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.988 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.08 -49.02 73.91 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.319 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.93 86.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 7.8 tp10 -63.27 -42.5 99.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.74 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 129' ' ' LEU . 60.8 mt -61.7 -48.28 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.165 177.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 27.1 mm -56.02 -45.35 80.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.36 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 139' ' ' GLN . 10.1 tt -63.1 -49.48 74.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.464 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 16.8 m -61.49 -42.81 99.36 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.016 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 88.7 mt -59.6 -45.76 90.94 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.715 0.293 . . . . 0.0 110.348 177.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.21 -46.74 93.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.016 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 14.0 mm100 -60.28 -45.5 93.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.312 . . . . 0.0 110.679 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.92 -37.64 86.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.465 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -70.01 -47.02 63.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.176 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -74.1 -29.04 61.65 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -177.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.9 p -69.22 -26.95 32.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 120.186 -0.606 . . . . 0.0 110.023 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.427 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.946 177.552 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.7 p . . . . . 0 N--CA 1.44 -0.94 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.769 ' HB3' HG13 ' A' ' 68' ' ' VAL . 41.9 t -89.75 96.48 10.71 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.621 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.75 99.77 8.65 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.216 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.416 ' HE2' ' HG ' ' A' ' 19' ' ' CYS . 87.6 m-85 -140.77 178.35 7.4 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.54 106.46 17.16 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 120.99 0.424 . . . . 0.0 110.975 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.52 177.34 5.97 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.572 ' HB3' HG23 ' A' ' 123' ' ' THR . . . -116.5 124.41 49.83 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.075 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.577 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 13.8 t80 -78.79 105.45 10.1 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.804 -177.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.425 ' HB3' HG13 ' A' ' 121' ' ' VAL . 33.1 tp -88.1 -52.79 5.05 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.632 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.62 163.04 22.99 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 119.215 -1.469 . . . . 0.0 114.199 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -114.69 109.03 17.59 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -116.92 132.69 56.64 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.803 0.335 . . . . 0.0 111.838 -176.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 116' ' ' HIS . 21.7 tp -80.72 129.74 34.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.529 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.404 HG21 ' HB3' ' A' ' 39' ' ' SER . 18.7 mm -109.37 142.42 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.531 -178.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.47 -54.44 28.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.532 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -135.56 138.72 43.29 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.05 0.452 . . . . 0.0 110.3 178.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.2 mm? -104.54 101.04 10.71 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.628 -178.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.405 ' HG3' ' HB3' ' A' ' 38' ' ' GLU . 14.6 ptp180 -111.76 88.07 2.71 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.868 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.17 -142.26 45.84 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.596 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.6 t -91.09 2.89 55.99 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.192 0.52 . . . . 0.0 110.632 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.405 ' HB3' ' HG3' ' A' ' 35' ' ' ARG . 8.2 tp10 -65.62 -45.38 83.32 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.404 ' HB3' HG21 ' A' ' 31' ' ' ILE . 25.1 m -66.59 -39.38 88.38 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.208 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.3 p -66.46 -43.42 85.56 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.016 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -67.93 -34.39 76.52 Favored 'General case' 0 CA--C 1.523 -0.094 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -57.47 -55.26 37.11 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.785 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 46' ' ' LYS . . . -65.05 -42.03 94.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.684 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.0 t -54.23 -55.19 30.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.525 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.49 78.91 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.858 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 43' ' ' ALA . 62.3 tttp -54.22 -60.03 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.753 178.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -76.14 -29.16 57.68 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.41 HH12 ' CG ' ' A' ' 98' ' ' ASP . 53.1 ttp180 -68.43 -25.86 65.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.976 0.417 . . . . 0.0 110.578 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.35 -31.66 14.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.005 0.431 . . . . 0.0 110.496 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -85.91 -4.73 59.24 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.258 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -178.466 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.645 ' HB ' ' HD2' ' A' ' 62' ' ' PRO . 1.5 m . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.645 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 36.6 Cg_endo -69.63 146.71 61.85 Favored 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 121.648 1.566 . . . . 0.0 112.051 177.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.7 m -88.71 133.82 34.1 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.212 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -123.71 123.22 66.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.12 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.428 HG13 ' HB2' ' A' ' 78' ' ' ALA . 45.6 mt -70.61 107.2 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.34 104.39 16.95 Favored 'General case' 0 N--CA 1.424 -1.745 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.267 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -108.18 89.69 3.07 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.32 0.581 . . . . 0.0 109.814 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.769 HG13 ' HB3' ' A' ' 19' ' ' CYS . 5.5 p -104.3 118.62 51.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-O 121.496 0.665 . . . . 0.0 111.54 -178.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.8 t -123.67 163.63 20.7 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.364 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.08 116.68 4.36 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.741 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.434 ' HA ' ' HB ' ' A' ' 89' ' ' ILE . 98.5 mttt 72.97 10.74 5.31 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.832 178.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.78 117.33 0.77 Allowed Glycine 0 CA--C 1.511 -0.176 0 C-N-CA 119.832 -1.175 . . . . 0.0 112.66 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.514 HG22 HG23 ' A' ' 68' ' ' VAL . 12.5 t -119.95 130.71 73.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.242 0.544 . . . . 0.0 111.458 -178.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.445 ' HD2' HD11 ' A' ' 76' ' ' ILE . 20.7 ttmm -122.16 132.21 54.34 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.884 -178.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.453 ' HB3' HD11 ' A' ' 64' ' ' ILE . 6.9 m-85 -121.23 112.16 18.29 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.486 ' O ' HG12 ' A' ' 64' ' ' ILE . 2.0 mp -117.12 143.84 26.4 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.311 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.543 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 6.5 t70 -80.35 134.19 36.01 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.428 ' HB2' HG13 ' A' ' 65' ' ' ILE . . . -93.09 -15.71 25.77 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.147 0.499 . . . . 0.0 110.532 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -70.16 -52.84 20.33 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.951 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 25.2 t-20 -119.72 -3.92 10.27 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.926 -177.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 28.2 mtpp 72.83 35.72 0.99 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.299 0.64 . . . . 0.0 110.869 -177.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -81.25 127.39 32.65 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.597 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.0 mp -74.96 99.69 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 175.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.497 HD11 ' HB2' ' A' ' 77' ' ' ASP . 77.4 mt -73.25 -59.26 3.55 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.671 -175.289 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -163.14 157.21 20.3 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.106 -0.637 . . . . 0.0 112.089 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -149.73 124.1 9.61 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -146.6 158.62 43.93 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.04 0.447 . . . . 0.0 111.751 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.63 167.06 22.5 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.241 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.435 HG12 ' HA ' ' A' ' 141' ' ' PHE . 9.7 tp -59.59 -31.17 46.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -176.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -15.58 62.31 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -78.25 -20.34 51.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.311 0.577 . . . . 0.0 109.791 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.7 mt -98.63 125.91 51.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 28.5 p -99.17 -30.76 12.1 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.548 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 35.8 t -153.97 158.07 40.1 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.123 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.87 116.1 7.96 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.29 133.87 35.48 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.393 -0.523 . . . . 0.0 112.052 -177.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.426 ' HB3' HG13 ' A' ' 134' ' ' ILE . 13.1 pt20 -85.37 151.97 23.61 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.516 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 20.9 t70 -65.65 122.42 80.44 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.625 0.25 . . . . 0.0 110.543 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 52.0 Cg_exo -54.05 -45.26 42.31 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 123.275 2.65 . . . . 0.0 114.256 -177.12 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -84.13 -38.67 20.42 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -175.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 19.4 t70 -121.63 104.04 9.33 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.026 0.441 . . . . 0.0 110.084 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 71.5 mt -77.62 7.02 6.15 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -175.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.9 m -96.45 10.85 36.98 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.444 0.64 . . . . 0.0 110.462 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 123' ' ' THR . 9.7 t -145.63 148.82 33.51 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.071 178.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.425 ' HB2' HD11 ' A' ' 134' ' ' ILE . 52.2 p90 -148.25 159.98 43.42 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.042 0.449 . . . . 0.0 111.675 -176.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.24 127.83 20.16 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.521 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -112.53 143.9 42.91 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.098 0.475 . . . . 0.0 110.278 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.6 mt -96.65 126.47 49.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.142 -178.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.14 145.9 48.99 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.03 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -94.87 94.81 8.26 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -72.8 97.53 2.24 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.498 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.428 HD23 ' H ' ' A' ' 112' ' ' LEU . 2.4 pt? -62.98 -13.26 32.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.569 -0.742 . . . . 0.0 112.241 -177.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -82.39 -25.94 33.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.783 0.325 . . . . 0.0 110.685 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.5 p -115.28 -8.08 12.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.15 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.1 t30 62.79 27.44 16.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.454 0.702 . . . . 0.0 110.729 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.554 ' HB3' HD11 ' A' ' 30' ' ' LEU . 64.2 m80 -135.76 165.69 25.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -95.7 117.46 30.54 Favored 'General case' 0 C--O 1.254 1.291 0 CA-C-O 121.906 0.86 . . . . 0.0 112.178 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 30' ' ' LEU . 16.2 m-85 -102.67 132.87 48.5 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 114.68 -1.145 . . . . 0.0 110.959 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 49.9 t -92.61 105.83 17.92 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -93.57 108.16 19.91 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.425 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.3 p -101.42 132.55 47.02 Favored 'Isoleucine or valine' 0 C--O 1.25 1.087 0 CA-C-O 121.393 0.616 . . . . 0.0 111.893 -176.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.577 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 10.7 m-85 -129.98 146.53 51.67 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.642 178.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.572 HG23 ' HB3' ' A' ' 24' ' ' ALA . 3.0 t -112.76 164.5 13.3 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 175.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -122.34 164.12 18.51 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.265 0.555 . . . . 0.0 112.138 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -85.06 -16.51 40.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.278 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -143.65 139.32 29.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.759 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 8.0 p -62.51 -39.8 85.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -177.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 132' ' ' GLU . 9.4 t30 -71.06 -35.03 71.75 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.92 -41.64 96.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.441 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.21 -52.27 65.51 Favored 'General case' 0 C--O 1.249 1.073 0 CA-C-O 121.127 0.489 . . . . 0.0 110.177 177.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.09 -31.78 73.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.251 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 1.3 tp10 -65.26 -45.45 84.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.227 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.29 -47.8 91.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.406 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.426 HG13 ' HB3' ' A' ' 97' ' ' GLN . 21.7 mm -60.0 -42.64 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 120.859 0.362 . . . . 0.0 110.753 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.25 -44.07 97.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.303 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 25.0 m -64.67 -40.55 95.59 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.559 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 77.2 mt -60.29 -47.03 87.76 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.287 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.51 -46.32 94.13 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.004 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -60.47 -43.31 97.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.003 0.43 . . . . 0.0 110.473 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.61 -29.64 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.078 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.435 ' HA ' HG12 ' A' ' 89' ' ' ILE . 78.3 t80 -77.61 -45.33 25.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.168 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -70.11 -37.52 75.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.768 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.4 p -67.57 -4.74 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 121.035 0.445 . . . . 0.0 111.402 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.672 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.367 179.316 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.567 ' OG ' ' HB2' ' A' ' 69' ' ' SER . 1.3 m . . . . . 0 CA--C 1.515 -0.396 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.0 t -109.59 142.1 41.16 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -102.45 109.91 21.7 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.43 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.449 ' CD2' HG12 ' A' ' 133' ' ' ILE . 69.5 m-85 -118.67 138.39 52.65 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 122.339 -0.225 . . . . 0.0 111.253 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -101.38 114.42 28.39 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.45 172.82 8.42 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.847 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.539 ' HB3' HG23 ' A' ' 123' ' ' THR . . . -97.81 122.13 40.55 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.481 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 1.0 OUTLIER -74.05 93.51 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.619 -177.681 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.1 tp -73.33 -55.61 6.17 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.04 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.46 160.0 21.07 Favored Glycine 0 N--CA 1.44 -1.091 0 C-N-CA 119.535 -1.316 . . . . 0.0 113.549 176.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.2 m -120.18 98.32 6.01 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -97.34 139.54 33.13 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.492 -173.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.417 HD13 ' CE2' ' A' ' 118' ' ' TYR . 20.1 tp -88.45 119.94 29.35 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.452 -177.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.466 HD11 ' SG ' ' A' ' 119' ' ' CYS . 22.0 mm -102.09 143.8 14.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.926 -177.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -83.96 -64.82 1.09 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.553 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -112.23 133.64 54.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.77 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -92.29 132.44 36.7 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.398 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -146.5 84.77 1.63 Allowed 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.382 0.61 . . . . 0.0 110.826 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 55.44 -142.08 37.29 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.056 -0.975 . . . . 0.0 112.894 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -90.12 4.56 50.03 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.785 0.326 . . . . 0.0 110.685 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -69.99 -36.26 75.03 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 m -63.8 -45.99 87.2 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.184 0.516 . . . . 0.0 110.391 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.7 p -67.31 -38.43 84.93 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.786 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -69.57 -37.88 77.17 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.283 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 18.2 t70 -56.63 -50.15 72.88 Favored 'General case' 0 C--O 1.25 1.113 0 CA-C-O 121.434 0.635 . . . . 0.0 109.291 176.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.03 65.67 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.799 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.3 t -55.83 -45.82 78.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.954 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.87 -47.52 84.64 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.996 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 2.3 ptpp? -66.43 -48.17 70.87 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.133 -0.627 . . . . 0.0 112.354 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -69.09 -33.05 72.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.863 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -62.99 -45.61 91.61 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.27 86.7 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.851 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -69.32 -41.5 76.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.318 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.806 -179.643 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.463 HG23 ' HB1' ' A' ' 24' ' ' ALA . 33.3 m . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 120.674 0.273 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.45 153.79 76.69 Favored 'Trans proline' 0 C--O 1.243 0.732 0 C-N-CA 122.633 2.222 . . . . 0.0 112.667 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.6 m -81.15 132.56 35.36 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.506 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.545 HD11 ' HB3' ' A' ' 75' ' ' PHE . 1.3 tt -116.83 142.83 28.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.17 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.448 HG13 ' HB2' ' A' ' 78' ' ' ALA . 54.2 mt -95.52 100.92 11.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 CA-C-O 121.574 0.702 . . . . 0.0 109.519 176.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.4 mt -81.08 101.31 9.52 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.675 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.498 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 5.5 m -93.41 105.55 17.6 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.2 p -110.88 126.7 68.26 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.567 ' HB2' ' OG ' ' A' ' 18' ' ' SER . 42.1 t -129.6 153.21 48.29 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.792 178.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.32 -12.27 60.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.953 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -104.84 -7.23 19.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.326 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.06 172.28 32.32 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 119.73 -1.224 . . . . 0.0 112.635 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.6 m -128.0 146.04 34.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-O 121.205 0.526 . . . . 0.0 111.434 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.509 ' HD3' ' HB3' ' A' ' 86' ' ' GLU . 5.5 tppt? -132.22 109.59 10.04 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.195 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.545 ' HB3' HD11 ' A' ' 64' ' ' ILE . 10.5 m-85 -98.22 105.33 17.46 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -178.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.465 HD11 ' HG2' ' A' ' 74' ' ' LYS . 13.0 mt -116.37 142.59 29.27 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.017 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.115 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.622 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 1.2 t70 -78.12 148.89 33.97 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.448 ' HB2' HG13 ' A' ' 65' ' ' ILE . . . -94.69 -19.33 20.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.815 0.34 . . . . 0.0 111.743 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 m -71.08 -56.57 5.85 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.173 0.511 . . . . 0.0 111.689 -176.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 51.4 t30 -113.97 -6.2 13.16 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.967 -177.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.622 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 14.1 mptt 70.7 33.59 2.26 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.815 -176.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -70.04 127.53 33.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.725 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.5 mp -77.43 95.34 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.492 HD11 ' HB2' ' A' ' 77' ' ' ASP . 59.7 mt -70.14 -56.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 114.92 -1.037 . . . . 0.0 111.062 -176.047 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -165.72 142.98 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.586 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.509 ' HB3' ' HD3' ' A' ' 74' ' ' LYS . 13.5 pt-20 -136.59 136.72 39.47 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -144.05 164.27 31.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.432 -177.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -75.24 163.67 27.26 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.55 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.5 tp -62.46 -29.8 47.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.402 0.62 . . . . 0.0 109.562 177.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 90' ' ' ARG . 42.8 mtm180 -64.82 -12.97 54.04 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.521 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.421 ' OD1' ' HB ' ' A' ' 109' ' ' THR . 0.0 OUTLIER -84.75 -23.45 29.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.71 0.29 . . . . 0.0 110.894 -179.576 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 mt -79.03 126.8 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -106.41 -33.88 7.59 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.726 -176.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 38.8 t -158.14 163.02 37.99 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.755 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.17 116.32 10.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.962 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.07 176.67 7.18 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.777 0.322 . . . . 0.0 110.674 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.514 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 13.9 pt20 -142.43 174.63 10.45 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.202 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.43 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 12.9 t70 -87.44 133.2 38.85 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.01 -41.35 7.66 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.889 2.393 . . . . 0.0 113.627 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.31 -40.38 14.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.785 0.326 . . . . 0.0 111.546 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 10.7 t70 -103.91 93.97 5.16 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.29 0.567 . . . . 0.0 109.546 178.087 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.4 mt -71.1 -2.6 16.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.88 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t -100.69 9.28 42.64 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-O 121.028 0.442 . . . . 0.0 109.991 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 123' ' ' THR . 63.6 m -129.91 139.24 51.17 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.931 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.514 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 42.8 p90 -140.4 163.88 31.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.905 0.384 . . . . 0.0 111.93 -177.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 120' ' ' HIS . . . -151.47 117.72 5.61 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.684 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -112.59 145.33 40.54 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.051 0.453 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 69.3 mt -93.2 123.88 45.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.363 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.421 ' HB ' ' OD1' ' A' ' 91' ' ' ASN . 2.4 p -123.82 147.48 47.55 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 114.843 -1.072 . . . . 0.0 109.454 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.437 ' HD2' ' O ' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -130.74 126.0 35.3 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 121.281 0.563 . . . . 0.0 112.352 -179.371 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -111.78 118.27 35.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.573 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.84 -27.32 68.69 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.972 -176.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -77.12 -17.02 58.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.396 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 115' ' ' ASN . 50.7 m -101.7 -7.3 22.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' A' ' 114' ' ' SER . 28.3 t30 72.63 -58.73 0.59 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.902 0.481 . . . . 0.0 112.167 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -83.41 174.43 10.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.083 0.468 . . . . 0.0 111.578 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -105.08 140.37 38.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.401 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.417 ' CE2' HD13 ' A' ' 30' ' ' LEU . 96.0 m-85 -102.58 129.34 49.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.909 -178.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.466 ' SG ' HD11 ' A' ' 31' ' ' ILE . 27.0 p -98.24 112.75 24.63 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' A' ' 106' ' ' ALA . 19.8 m80 -89.97 104.12 16.72 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.187 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.8 p -104.26 121.0 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 CA-C-O 121.787 0.804 . . . . 0.0 110.478 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.481 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 94.0 m-85 -129.57 140.92 51.08 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.66 -179.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.539 HG23 ' HB3' ' A' ' 24' ' ' ALA . 3.5 t -111.8 128.59 56.15 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.318 0.58 . . . . 0.0 109.819 178.231 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.21 161.21 15.16 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.365 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -87.14 -13.02 45.28 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.373 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -139.56 142.61 37.16 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.291 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.69 -40.6 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.398 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -62.87 -39.78 95.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.426 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -61.97 -46.24 90.12 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.07 90.58 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.352 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.55 -41.15 98.45 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.015 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -59.14 -45.04 91.99 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.949 0.404 . . . . 0.0 110.944 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.449 HG12 ' CD2' ' A' ' 21' ' ' TYR . 52.8 mt -62.47 -48.12 89.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.644 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.426 HD11 ' HB2' ' A' ' 105' ' ' PHE . 43.4 mm -62.45 -40.42 88.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.612 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.16 -48.59 81.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.997 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 24.8 m -64.51 -44.04 92.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.001 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.02 -46.37 91.0 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.863 0.363 . . . . 0.0 110.779 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.72 -41.16 99.87 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.947 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -67.34 -41.82 84.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.792 0.33 . . . . 0.0 110.562 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.19 -47.83 84.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.758 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -66.55 -37.43 84.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.055 0.455 . . . . 0.0 110.484 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.25 -49.5 71.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.922 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.68 -18.69 21.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.953 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 120.925 0.393 . . . . 0.0 110.715 179.191 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.447 ' HB3' ' HB2' ' A' ' 69' ' ' SER . 57.8 p . . . . . 0 N--CA 1.442 -0.835 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.9 t -118.48 131.23 56.26 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -106.97 129.85 54.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -136.71 157.48 46.66 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.378 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -107.92 106.48 16.76 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.76 168.24 9.56 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.614 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -106.66 121.05 43.57 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.005 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.437 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -68.52 101.73 1.32 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -177.857 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.2 tp -84.73 -55.24 4.21 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.002 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.71 165.24 37.61 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 119.272 -1.442 . . . . 0.0 114.012 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.2 p -132.39 110.61 10.67 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 176.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -103.82 139.76 38.58 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.562 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.443 HD23 ' CZ ' ' A' ' 118' ' ' TYR . 2.5 tm? -84.87 125.62 32.78 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.382 177.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.513 HG21 ' HB3' ' A' ' 34' ' ' LEU . 14.7 mm -104.84 121.18 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.561 179.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -64.35 -54.62 30.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.008 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -140.25 134.47 31.11 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.234 -0.894 . . . . 0.0 108.879 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.513 ' HB3' HG21 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -133.45 148.86 51.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -174.575 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.3 mtp85 -141.72 108.32 5.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.026 176.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.22 -129.11 25.86 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.186 -0.53 . . . . 0.0 113.712 177.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 t -105.87 8.58 32.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.929 0.395 . . . . 0.0 111.595 -176.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.3 -47.7 81.19 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.68 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 m -69.3 -37.06 77.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.131 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.512 HG23 HD11 ' A' ' 108' ' ' ILE . 7.3 p -64.08 -49.22 73.12 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 110.36 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.66 -33.45 74.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.641 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -59.02 -50.76 72.88 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.004 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.04 -51.67 67.05 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.853 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.6 m -51.93 -51.23 58.43 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.394 0.433 . . . . 0.0 111.712 -178.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.09 -55.62 20.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.975 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -62.6 -42.47 99.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.975 0.417 . . . . 0.0 111.424 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.5 ttp -64.67 -45.3 87.3 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.687 -178.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -67.18 -32.92 74.33 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 119.775 -0.77 . . . . 0.0 110.34 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.74 -34.21 77.34 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-O 121.17 0.51 . . . . 0.0 110.234 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -76.75 -41.47 44.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.212 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.5 t . . . . . 0 C--O 1.239 0.5 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.61 -178.324 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.614 HG23 ' HB1' ' A' ' 24' ' ' ALA . 20.4 m . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.517 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 30.5 Cg_exo -38.39 118.72 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 C-N-CA 123.79 2.993 . . . . 0.0 113.98 -179.072 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.5 m -77.01 132.07 38.77 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.528 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.617 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -128.34 136.2 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.118 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.465 -178.874 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 65.8 mt -84.49 114.31 24.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.491 0.662 . . . . 0.0 111.224 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.485 HD21 ' CD2' ' A' ' 122' ' ' PHE . 1.5 mm? -84.76 103.93 14.28 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.54 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.494 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 20.1 m -105.28 99.79 9.39 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 176.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.3 p -103.75 129.71 55.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.062 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 18' ' ' SER . 32.3 t -146.68 153.81 40.71 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.33 -8.78 56.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.261 0.553 . . . . 0.0 109.958 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -98.81 4.78 47.67 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.128 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.44 161.05 9.18 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.637 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.0 m -119.34 138.96 48.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-O 121.164 0.507 . . . . 0.0 110.705 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.494 ' HG3' ' HB2' ' A' ' 67' ' ' SER . 15.0 ptpt -138.47 136.28 36.02 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.477 0.656 . . . . 0.0 110.956 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.617 ' HB3' HD11 ' A' ' 64' ' ' ILE . 11.7 m-85 -117.41 104.75 11.42 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.347 -176.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.3 mp -110.46 147.6 14.53 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.179 -176.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.595 ' HB3' ' H ' ' A' ' 82' ' ' ASN . 12.4 t70 -64.38 149.86 47.47 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.15 -26.59 17.35 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -100.94 -34.84 9.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.051 0.453 . . . . 0.0 111.333 -177.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -100.63 -21.13 15.36 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.151 0.501 . . . . 0.0 110.157 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 24.6 ttpp 63.75 29.91 14.76 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.319 -179.134 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.595 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 26.2 t-20 -79.49 134.07 36.51 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.364 178.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.3 tp -72.02 95.08 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.92 0.867 . . . . 0.0 109.815 176.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.6 mt -72.75 -55.32 13.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.892 -175.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.85 142.07 19.44 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.696 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -142.78 142.96 31.99 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.086 0.47 . . . . 0.0 110.389 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -150.82 163.54 38.38 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.71 155.13 40.82 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 6.1 tp -60.22 -36.01 65.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-O 121.141 0.496 . . . . 0.0 110.867 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -70.21 -8.76 52.52 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.089 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 27.9 t-20 -78.23 -21.66 49.61 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.968 0.414 . . . . 0.0 110.121 178.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.7 mt -76.44 116.79 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.2 p -89.68 -28.53 19.39 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.292 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.447 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 46.9 t -151.97 150.16 29.69 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.944 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.59 122.33 19.85 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -153.34 -169.2 3.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.923 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -154.71 178.96 9.53 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.755 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.598 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 12.5 t70 -70.8 142.53 88.35 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.653 -179.189 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 15.7 Cg_exo -68.63 -28.52 31.15 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.817 2.344 . . . . 0.0 113.984 -179.37 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.49 ' HG2' ' OD1' ' A' ' 98' ' ' ASP . 14.4 pt-20 -105.35 -34.96 7.68 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.136 -177.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.598 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 14.3 t70 -111.96 100.78 9.16 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.259 -179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.0 mp -81.25 10.9 4.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.366 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.414 ' HB2' HG22 ' A' ' 127' ' ' VAL . 8.0 t -95.09 -11.93 27.41 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 177.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.3 m -105.14 117.94 35.27 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.619 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.422 ' HB2' HD11 ' A' ' 134' ' ' ILE . 38.4 p90 -112.18 144.47 41.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.812 0.339 . . . . 0.0 110.952 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.436 ' HB1' ' SG ' ' A' ' 119' ' ' CYS . . . -135.15 120.58 19.16 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 -177.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 44.9 p90 -114.82 143.01 45.78 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 120.895 0.378 . . . . 0.0 110.235 178.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.512 HD11 HG23 ' A' ' 40' ' ' THR . 70.7 mt -108.74 121.0 61.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.554 -179.174 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 12.1 p -108.85 159.92 16.4 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.164 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 91' ' ' ASN . 22.4 pttp -104.33 113.8 27.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.029 0.442 . . . . 0.0 111.182 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -101.42 96.2 6.99 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.954 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 29.1 tp -66.22 -12.02 53.58 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.666 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -65.31 -33.33 75.72 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.4 p -113.19 -9.75 13.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.249 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 64.1 t30 64.54 31.31 12.44 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.745 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -131.5 177.29 7.61 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.268 177.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.478 ' HB3' ' CG2' ' A' ' 108' ' ' ILE . 29.8 m-70 -112.58 134.14 54.26 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.818 0.342 . . . . 0.0 110.304 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.443 ' CZ ' HD23 ' A' ' 30' ' ' LEU . 55.2 m-85 -111.81 134.01 53.65 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.707 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.436 ' SG ' ' HB1' ' A' ' 106' ' ' ALA . 52.4 t -101.17 102.88 13.89 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.195 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 77.7 m-70 -93.07 109.6 21.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.4 p -116.41 129.94 72.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 CA-C-O 121.306 0.574 . . . . 0.0 111.599 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.485 ' CD2' HD21 ' A' ' 66' ' ' LEU . 8.3 m-85 -126.11 154.54 42.96 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.996 -178.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 39.9 p -101.66 117.42 34.86 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.376 178.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.408 ' HB1' HD22 ' A' ' 129' ' ' LEU . . . -79.15 154.63 29.17 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -83.8 -8.33 59.25 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.038 0.447 . . . . 0.0 110.173 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -142.06 135.93 29.66 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.73 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.414 HG22 ' HB2' ' A' ' 103' ' ' SER . 96.7 t -62.82 -47.64 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.555 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -60.32 -38.24 83.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.041 0.448 . . . . 0.0 110.076 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.408 HD22 ' HB1' ' A' ' 124' ' ' ALA . 8.3 tt -58.56 -49.95 75.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.755 177.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.45 99.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.619 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.43 -39.68 91.67 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.845 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.33 -42.97 99.01 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.979 178.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 71.2 mt -58.33 -49.01 83.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.265 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.422 HD11 ' HB2' ' A' ' 105' ' ' PHE . 46.5 mm -59.42 -43.31 90.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.526 178.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.64 -47.37 86.53 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 11.6 m -60.84 -45.44 94.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.613 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.42 -44.92 96.3 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.403 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -63.17 -46.26 93.57 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.201 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -63.47 -44.9 93.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.02 92.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.357 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -67.86 -36.09 79.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.152 0.501 . . . . 0.0 110.152 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -71.83 -46.65 57.37 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.242 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.7 p -63.59 -8.38 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-O 120.907 0.384 . . . . 0.0 111.825 -176.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.523 178.872 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 N--CA 1.442 -0.847 0 CA-C-O 121.007 0.432 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.579 ' HB3' ' CE2' ' A' ' 21' ' ' TYR . 66.5 m -98.58 94.48 6.7 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.159 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.92 103.09 15.84 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.025 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 19' ' ' CYS . 51.7 m-85 -118.44 176.02 5.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.753 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -122.84 127.44 49.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.085 0.469 . . . . 0.0 111.507 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.34 -177.72 3.88 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.758 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -121.65 112.0 17.89 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.015 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.489 ' O ' ' HB ' ' A' ' 61' ' ' VAL . 3.5 t80 -57.76 116.21 3.3 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.455 1.102 . . . . 0.0 111.71 -175.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.421 ' H ' ' HB3' ' A' ' 122' ' ' PHE . 19.0 tp -99.45 -59.07 1.79 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.73 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.66 144.21 8.22 Favored Glycine 0 C--N 1.341 0.834 0 C-N-CA 119.799 -1.191 . . . . 0.0 113.424 177.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.9 p -110.08 113.41 26.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.43 ' HE1' ' SD ' ' A' ' 47' ' ' MET . 1.5 tpp -108.37 145.28 34.74 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.247 -175.345 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.483 HD13 ' CE2' ' A' ' 118' ' ' TYR . 60.7 tp -105.65 117.09 33.13 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.236 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.483 ' CG2' HD21 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -120.52 176.67 3.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -113.31 -73.41 0.66 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -115.55 125.97 53.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -178.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.483 HD21 ' CG2' ' A' ' 31' ' ' ILE . 29.8 mt -128.87 169.51 14.51 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.733 -173.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -148.74 85.93 1.51 Allowed 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.68 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.71 -157.1 26.15 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.084 -0.579 . . . . 0.0 113.987 175.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.1 t -77.49 -0.62 26.81 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.006 0.431 . . . . 0.0 111.517 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -55.75 -41.11 73.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.984 0.421 . . . . 0.0 110.735 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.448 ' HB2' HD22 ' A' ' 34' ' ' LEU . 28.1 t -69.89 -40.95 75.34 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.703 -178.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.9 p -63.72 -38.73 92.22 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 120.614 -0.434 . . . . 0.0 109.889 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -70.99 -36.03 72.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.13 178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -55.56 -58.76 6.43 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-O 121.353 0.597 . . . . 0.0 109.838 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.12 -49.49 77.06 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.553 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 53.5 t -51.07 -56.25 13.52 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.435 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.51 -41.07 76.06 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.689 -178.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -61.17 -52.95 62.67 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.13 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.43 ' SD ' ' HE1' ' A' ' 29' ' ' MET . 5.0 mpp? -68.4 -25.06 64.86 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.463 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 44' ' ' CYS . 52.4 mtt180 -58.45 -51.42 69.94 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.32 -32.16 72.95 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.17 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -72.26 -44.66 62.49 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.606 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -175.744 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.758 HG23 ' HB1' ' A' ' 24' ' ' ALA . 1.6 m . . . . . 0 N--CA 1.438 -1.066 0 CA-C-O 120.366 0.127 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -61.91 142.66 93.87 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 123.359 2.706 . . . . 0.0 113.355 -176.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.1 m -76.16 127.23 32.5 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -118.94 130.1 74.22 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.438 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.8 mt -85.15 117.56 30.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.566 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.9 mt -97.21 105.26 17.37 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.315 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.466 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 28.3 t -99.56 99.34 10.2 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.165 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.507 HG13 ' HB2' ' A' ' 19' ' ' CYS . 3.1 p -108.55 119.57 58.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.936 -177.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.7 p -127.67 159.62 34.14 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.267 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.92 -0.19 4.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -125.45 8.19 7.73 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 122.374 -0.204 . . . . 0.0 111.543 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 159.17 159.88 10.01 Favored Glycine 0 CA--C 1.51 -0.224 0 C-N-CA 120.062 -1.066 . . . . 0.0 112.759 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 23.8 t -130.46 132.66 64.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-O 121.189 0.519 . . . . 0.0 110.539 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.534 ' HE2' ' OE1' ' A' ' 86' ' ' GLU . 36.3 ttmt -121.22 141.45 50.85 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.21 -177.031 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.521 ' HB3' HD11 ' A' ' 64' ' ' ILE . 3.8 m-85 -126.9 111.81 14.58 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.199 -177.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.5 mp -122.46 146.41 27.72 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.923 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.443 ' HB3' ' HB3' ' A' ' 82' ' ' ASN . 8.2 t70 -81.23 137.9 35.82 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 176.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.0 1.28 42.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.72 0.295 . . . . 0.0 111.392 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 m -79.83 -53.92 6.33 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.038 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -130.89 7.59 4.74 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.26 0.552 . . . . 0.0 109.966 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? 67.1 85.05 0.15 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.353 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.443 ' HB3' ' HB3' ' A' ' 77' ' ' ASP . 44.3 t30 -128.79 127.13 41.36 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.069 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.424 HD12 ' N ' ' A' ' 83' ' ' ILE . 3.7 mp -78.74 92.18 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 177.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.1 mt -67.83 -50.72 57.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 114.92 -1.037 . . . . 0.0 111.213 -176.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -159.93 154.01 23.3 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.108 0.48 . . . . 0.0 111.895 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.534 ' OE1' ' HE2' ' A' ' 74' ' ' LYS . 38.1 tt0 -145.76 113.06 6.2 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 177.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -135.52 162.97 31.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.15 0.5 . . . . 0.0 112.294 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -72.07 158.54 35.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.989 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.3 tt -60.32 -46.08 95.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-O 120.792 0.33 . . . . 0.0 111.449 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -74.15 3.96 6.32 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -78.37 -17.99 55.71 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.503 ' HA ' HG22 ' A' ' 109' ' ' THR . 21.2 mt -88.18 131.67 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.283 178.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 m -84.8 -41.14 16.39 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.597 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 45.3 t -166.13 164.15 17.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.425 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.27 130.73 29.11 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -139.15 169.23 18.15 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.923 0.392 . . . . 0.0 110.565 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -127.03 157.15 40.36 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.164 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.497 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 10.2 t70 -70.66 124.3 90.66 Favored Pre-proline 0 C--N 1.311 -1.084 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.346 -178.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 18.6 Cg_exo -67.67 -36.86 17.86 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.088 2.525 . . . . 0.0 113.752 -178.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.4 ' HG3' HH22 ' A' ' 48' ' ' ARG . 7.4 pt-20 -89.0 -24.68 22.32 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -176.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 15.2 t70 -126.59 95.74 4.45 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 173.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.728 ' H ' HD23 ' A' ' 102' ' ' LEU . 1.6 pt? -71.11 8.95 0.82 Allowed 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.43 -0.804 . . . . 0.0 113.118 -176.521 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.6 t -111.68 12.35 21.13 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.438 0.637 . . . . 0.0 109.302 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.7 m -128.37 142.32 51.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.325 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.517 ' CE2' ' HE1' ' A' ' 122' ' ' PHE . 24.5 p90 -151.74 165.07 35.56 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.563 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -146.51 151.23 37.03 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.219 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.427 ' HE1' ' CE2' ' A' ' 122' ' ' PHE . 18.7 p90 -130.24 137.19 49.91 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.789 177.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.0 mt -100.25 122.45 52.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.9 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 92' ' ' ILE . 43.4 p -121.45 -168.75 1.74 Allowed 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.503 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.447 ' HD2' ' O ' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -153.64 131.71 11.81 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 120.852 0.358 . . . . 0.0 110.161 174.425 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -93.89 123.85 37.52 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.81 -21.66 66.03 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.132 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -80.82 -13.18 59.18 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.973 0.416 . . . . 0.0 110.96 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.3 m -115.1 -21.85 9.8 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.398 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 62.9 t30 62.62 21.59 12.79 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.803 0.841 . . . . 0.0 111.0 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -130.42 169.01 16.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.376 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -95.69 130.37 42.61 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -173.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.483 ' CE2' HD13 ' A' ' 30' ' ' LEU . 5.2 m-85 -100.74 117.4 34.76 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.708 178.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 51.0 t -96.99 103.11 15.0 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -103.26 111.22 23.52 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.253 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.4 p -113.83 139.88 37.18 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.556 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.517 ' HE1' ' CE2' ' A' ' 105' ' ' PHE . 0.2 OUTLIER -152.33 168.02 26.79 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-O 121.226 0.536 . . . . 0.0 111.805 178.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 50.5 p -98.9 149.67 22.69 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.026 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -105.84 159.95 15.62 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 120.629 0.252 . . . . 0.0 110.358 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -73.78 -31.85 63.49 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.183 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -142.47 151.3 41.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.765 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.2 t -60.1 -45.72 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.107 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -63.3 -40.57 97.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.816 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.492 ' O ' HG13 ' A' ' 133' ' ' ILE . 3.1 tm? -60.04 -46.24 90.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.802 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.02 77.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.057 0.456 . . . . 0.0 110.943 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.53 99.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.096 -178.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 129' ' ' LEU . 10.1 pt-20 -69.06 -36.37 77.58 Favored 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.935 -178.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 129' ' ' LEU . 31.6 mt -61.08 -45.51 98.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 174.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 37.3 mm -58.78 -42.46 85.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.878 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.4 tt -58.74 -46.71 86.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.265 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.9 m -64.25 -44.45 91.75 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 81.2 mt -58.42 -50.01 75.22 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.73 0.3 . . . . 0.0 110.899 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.85 -44.62 97.83 Favored Glycine 0 C--O 1.241 0.592 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.089 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -59.02 -44.28 91.7 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.42 -46.86 85.63 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.175 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.25 -43.88 98.16 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 111.18 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.21 -41.39 90.22 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.75 -11.82 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 120.965 0.412 . . . . 0.0 111.151 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.348 0 CA-C-O 120.959 0.409 . . . . 0.0 110.708 179.018 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.1 p . . . . . 0 N--CA 1.444 -0.733 0 CA-C-O 120.927 0.394 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.567 ' HB2' HG13 ' A' ' 68' ' ' VAL . 74.9 m -96.09 104.85 16.82 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.286 -179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -97.04 118.83 34.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.571 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.507 ' CD1' ' HG ' ' A' ' 129' ' ' LEU . 72.4 m-85 -134.16 179.85 6.01 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.983 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -133.81 114.52 13.46 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.0 177.91 4.47 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.39 -178.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.641 ' O ' ' HB2' ' A' ' 122' ' ' PHE . . . -107.36 111.16 23.36 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.528 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.52 ' O ' ' HB ' ' A' ' 61' ' ' VAL . 4.8 t80 -66.65 104.14 1.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.311 -177.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.466 HD12 HG11 ' A' ' 61' ' ' VAL . 17.4 tp -85.99 -56.51 3.44 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.455 ' HA3' ' SD ' ' A' ' 47' ' ' MET . . . -179.53 157.24 20.12 Favored Glycine 0 C--N 1.337 0.611 0 C-N-CA 120.018 -1.087 . . . . 0.0 113.371 177.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.8 m -118.44 116.1 26.01 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -105.8 138.36 42.13 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.977 0.418 . . . . 0.0 111.752 -176.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.437 ' HG ' ' CE1' ' A' ' 118' ' ' TYR . 4.8 tt -84.43 118.52 24.32 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 mm -114.63 137.12 49.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.201 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -111.06 -35.2 5.98 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.21 0.529 . . . . 0.0 109.794 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -102.67 102.29 12.48 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.093 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.407 HD12 HD13 ' A' ' 108' ' ' ILE . 3.0 mm? -86.45 103.08 14.66 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.726 -177.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.508 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 15.5 ptt180 -108.17 75.86 1.01 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.174 0.511 . . . . 0.0 110.529 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 55.55 -130.55 48.29 Favored Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.332 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.2 p -99.7 9.51 42.98 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.754 0.788 . . . . 0.0 110.073 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.508 ' HB2' ' O ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -71.76 -38.67 70.33 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.77 178.05 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 42' ' ' ASP . 22.4 m -60.64 -41.08 94.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.222 177.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.506 HG22 ' SG ' ' A' ' 119' ' ' CYS . 38.4 p -68.6 -45.64 71.46 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.895 0.378 . . . . 0.0 110.243 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -34.53 77.22 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 39' ' ' SER . 12.1 t0 -57.81 -60.26 3.98 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.363 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.62 -40.76 88.62 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.951 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.463 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 48.6 t -59.96 -56.19 24.75 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.731 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.95 -41.56 74.87 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.746 0.308 . . . . 0.0 111.332 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -58.63 -52.95 63.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.702 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.455 ' SD ' ' HA3' ' A' ' 27' ' ' GLY . 66.1 mtm -70.61 -29.85 66.35 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.865 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 44' ' ' CYS . 55.9 mtt180 -58.62 -48.34 81.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.338 0.589 . . . . 0.0 109.526 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.19 -26.98 62.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.836 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -73.79 -36.77 65.05 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.923 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.1 p . . . . . 0 N--CA 1.471 0.616 0 CA-C-O 120.978 0.418 . . . . 0.0 111.208 -178.108 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.52 ' HB ' ' O ' ' A' ' 25' ' ' TYR . 26.9 m . . . . . 0 N--CA 1.445 -0.707 0 CA-C-O 120.576 0.227 . . . . 0.0 110.775 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.76 146.11 33.31 Favored 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.41 2.073 . . . . 0.0 112.626 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.5 m -81.34 125.9 30.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.258 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.568 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -115.66 137.62 48.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.226 -178.253 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.425 HD11 ' HB2' ' A' ' 78' ' ' ALA . 2.1 mp -79.73 112.03 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.315 0.578 . . . . 0.0 110.574 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.08 97.74 11.12 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.35 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.506 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 48.8 m -108.34 101.13 10.35 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.543 0.687 . . . . 0.0 110.57 179.49 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.567 HG13 ' HB2' ' A' ' 19' ' ' CYS . 2.2 p -110.12 115.27 49.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.682 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.44 ' OG ' ' HG2' ' A' ' 71' ' ' LYS . 38.0 t -121.3 153.03 38.24 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.278 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.61 -13.46 62.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.44 ' HG2' ' OG ' ' A' ' 69' ' ' SER . 17.0 ptpt -103.77 -1.43 27.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.694 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.404 ' O ' ' HB3' ' A' ' 69' ' ' SER . . . 156.14 158.72 8.98 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.402 -0.904 . . . . 0.0 112.388 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.0 m -118.64 143.13 30.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-O 120.867 0.365 . . . . 0.0 110.688 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.506 ' HG3' ' HB2' ' A' ' 67' ' ' SER . 16.0 ptpt -146.19 134.13 21.38 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.53 0.681 . . . . 0.0 110.613 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.568 ' HB3' HD11 ' A' ' 64' ' ' ILE . 9.0 m-85 -122.91 111.12 16.27 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -177.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.4 mp -123.7 153.01 29.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 123.539 0.524 . . . . 0.0 111.665 -174.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.666 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -95.63 153.95 17.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.902 175.899 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.425 ' HB2' HD11 ' A' ' 65' ' ' ILE . . . -100.67 -11.42 20.0 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.8 m -74.2 -53.33 10.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.953 0.406 . . . . 0.0 110.924 -177.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -124.93 5.99 8.01 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.541 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.666 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 58.2 mttp 63.91 29.53 14.49 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.525 -178.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -72.73 123.75 23.95 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.706 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.742 ' H ' HD13 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -80.58 114.2 21.14 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-O 121.215 0.531 . . . . 0.0 110.68 179.018 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.4 mp -64.06 -43.2 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -171.35 148.51 2.61 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.738 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -151.26 117.73 5.7 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.041 0.448 . . . . 0.0 110.567 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.539 ' NE2' ' HE3' ' A' ' 113' ' ' LYS . 5.1 m-70 -153.15 -174.17 4.84 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.271 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -71.95 159.04 34.92 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.402 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -59.46 -45.33 93.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -177.144 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -75.04 6.68 3.92 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.028 0.442 . . . . 0.0 111.783 -177.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -75.53 -16.54 60.26 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 174.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.18 120.64 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.2 t -77.04 -36.72 55.85 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.742 -176.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 47.3 t -159.39 151.67 21.11 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.086 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.48 120.97 31.04 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.536 ' O ' ' HB2' ' A' ' 105' ' ' PHE . . . -128.63 169.51 14.35 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 120.957 0.408 . . . . 0.0 111.409 -177.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 16.9 pt20 -147.53 162.22 39.52 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.677 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -74.33 129.12 84.81 Favored Pre-proline 0 C--N 1.321 -0.648 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.77 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -57.94 -30.99 91.6 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.671 2.248 . . . . 0.0 112.719 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -75.64 -28.22 58.68 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -156.83 142.84 17.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.852 0.358 . . . . 0.0 111.612 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.29 -5.54 56.18 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.6 t -89.44 17.14 6.54 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.419 0.628 . . . . 0.0 110.503 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.401 HG21 ' NH2' ' A' ' 48' ' ' ARG . 1.5 t -149.52 121.16 8.03 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.182 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.536 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 34.0 p90 -149.85 175.22 11.82 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 120.401 -0.52 . . . . 0.0 112.325 -175.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.48 ' HB2' ' HB ' ' A' ' 121' ' ' VAL . . . -152.83 140.82 20.24 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.945 -177.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -121.14 142.13 50.16 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-O 120.973 0.416 . . . . 0.0 110.039 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.407 HD13 HD12 ' A' ' 34' ' ' LEU . 56.3 mt -100.22 120.91 50.31 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.47 140.83 35.22 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.363 -175.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 tptm -87.93 75.1 8.86 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -82.67 78.3 9.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.578 0.704 . . . . 0.0 109.341 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.7 tp -62.07 -30.47 71.01 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.424 -174.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.539 ' HE3' ' NE2' ' A' ' 87' ' ' HIS . 0.0 OUTLIER -72.26 -17.69 61.87 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.63 -179.394 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.9 m -97.43 -5.86 35.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.949 0.404 . . . . 0.0 110.069 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 64.78 13.38 8.41 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.669 177.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -140.64 170.25 16.13 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.724 0.297 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -102.35 126.09 49.26 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.983 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.437 ' CE1' ' HG ' ' A' ' 30' ' ' LEU . 23.9 m-85 -104.59 126.23 51.48 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.049 0.452 . . . . 0.0 111.32 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.506 ' SG ' HG22 ' A' ' 40' ' ' THR . 33.2 t -101.63 100.55 10.96 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.507 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -89.75 104.13 16.71 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.48 ' HB ' ' HB2' ' A' ' 106' ' ' ALA . 1.2 p -109.1 130.03 62.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.244 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.641 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 22.9 p90 -153.61 168.2 26.98 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 121.204 0.526 . . . . 0.0 111.351 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 50.6 p -107.45 170.61 7.87 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.324 -177.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.499 ' CB ' ' HB2' ' A' ' 130' ' ' ALA . . . -129.5 150.39 50.86 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -77.54 -26.1 50.73 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -122.7 131.0 53.6 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.57 -52.34 62.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.487 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -62.4 -37.18 84.77 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.448 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.507 ' HG ' ' CD1' ' A' ' 21' ' ' TYR . 8.2 tt -56.7 -51.46 68.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.735 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.499 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . . . -64.01 -45.73 87.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.988 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.39 79.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.144 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -70.98 -34.04 71.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.892 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 129' ' ' LEU . 67.3 mt -64.3 -44.97 97.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.006 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 30.3 mm -58.77 -43.11 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.287 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.46 -46.43 90.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.545 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 62.3 m -58.14 -52.39 65.77 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.746 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.23 -51.75 67.66 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.404 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.56 -46.84 92.66 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.951 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -64.9 -42.58 94.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.763 0.316 . . . . 0.0 110.826 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.2 86.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -76.34 -40.43 51.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.96 -40.99 95.83 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.868 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.7 p -65.82 -31.62 54.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.226 0.536 . . . . 0.0 110.641 179.335 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 N--CA 1.439 -0.985 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.673 ' SG ' HG21 ' A' ' 136' ' ' THR . 19.4 p -133.49 130.37 38.46 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 120.848 0.356 . . . . 0.0 110.377 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -106.76 95.82 6.0 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.508 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -116.18 138.86 50.91 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.003 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -90.4 121.94 32.82 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.487 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.74 173.6 6.65 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.812 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.496 ' HB1' ' CG2' ' A' ' 61' ' ' VAL . . . -98.82 120.52 39.39 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.33 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.478 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 5.7 t80 -72.35 95.6 1.76 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.962 0.41 . . . . 0.0 109.918 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.409 ' HB3' ' O ' ' A' ' 121' ' ' VAL . 20.3 tp -77.03 -56.92 4.16 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.51 165.79 37.91 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 119.662 -1.256 . . . . 0.0 113.529 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' A' ' 119' ' ' CYS . 28.7 t -144.85 109.65 5.02 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.413 ' HB2' ' HE2' ' A' ' 29' ' ' MET . 2.4 mpp? -107.7 157.7 17.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.708 -175.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.438 HD21 ' CE1' ' A' ' 118' ' ' TYR . 97.2 mt -96.31 105.45 17.52 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.73 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 119' ' ' CYS . 15.1 mm -94.5 117.45 38.24 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.91 -76.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -98.84 108.19 20.81 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -85.09 118.57 24.73 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.923 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -117.21 83.82 2.05 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.616 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.2 -153.24 35.56 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.396 -0.82 . . . . 0.0 114.635 176.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 t -76.68 -2.47 33.0 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.258 0.623 . . . . 0.0 110.955 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -61.85 -50.09 73.65 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.638 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.9 t -74.94 -27.76 60.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.042 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.2 p -67.05 -44.82 79.21 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 120.254 -0.579 . . . . 0.0 109.826 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -69.68 -30.65 68.36 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.724 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.42 -53.2 60.87 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.234 0.54 . . . . 0.0 109.816 175.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.37 87.17 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.096 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.5 t -59.19 -59.5 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.466 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.69 82.59 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.523 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.455 ' NZ ' ' HB2' ' A' ' 46' ' ' LYS . 4.9 ttmp? -58.17 -55.12 39.07 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.931 0.395 . . . . 0.0 111.179 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.419 ' HE1' HG13 ' A' ' 121' ' ' VAL . 49.1 mtm -70.73 -37.41 73.49 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.849 -178.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -63.07 -34.08 76.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.816 0.341 . . . . 0.0 110.485 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.33 -33.7 58.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.945 0.402 . . . . 0.0 110.548 176.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -77.05 -27.03 54.26 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.631 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.8 t . . . . . 0 C--N 1.32 -0.716 0 CA-C-O 120.89 0.376 . . . . 0.0 110.604 179.717 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.496 ' CG2' ' HB1' ' A' ' 24' ' ' ALA . 27.3 m . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -49.04 134.24 29.37 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.931 2.421 . . . . 0.0 112.578 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.8 m -84.72 131.64 34.55 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.543 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.634 HD11 ' HB3' ' A' ' 75' ' ' PHE . 1.3 tt -116.41 135.55 56.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.104 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.57 100.05 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.2 mt -83.27 94.77 7.98 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.612 ' OG ' ' HG3' ' A' ' 74' ' ' LYS . 3.3 p -102.72 97.95 8.05 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.488 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.435 HG21 HD23 ' A' ' 137' ' ' LEU . 1.4 p -106.3 127.21 61.74 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.905 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.2 m -118.52 159.89 22.72 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.309 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.75 -12.93 39.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.65 0.262 . . . . 0.0 111.535 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.535 ' HE2' ' HA ' ' A' ' 71' ' ' LYS . 8.3 mmpt? -111.68 4.82 18.84 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.755 -178.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 156.42 166.3 16.01 Favored Glycine 0 C--O 1.22 -0.761 0 C-N-CA 119.837 -1.173 . . . . 0.0 112.295 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.44 HG11 HD11 ' A' ' 92' ' ' ILE . 7.4 p -131.49 129.16 61.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.265 0.555 . . . . 0.0 111.293 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.612 ' HG3' ' OG ' ' A' ' 67' ' ' SER . 4.3 ptmm? -118.52 135.51 54.36 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.989 -179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.634 ' HB3' HD11 ' A' ' 64' ' ' ILE . 4.3 m-85 -117.98 112.46 20.3 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.17 -176.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.442 ' N ' HD12 ' A' ' 76' ' ' ILE . 3.5 mp -124.28 149.3 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-O 120.638 0.256 . . . . 0.0 110.983 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.625 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -86.9 149.34 24.87 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.903 0.481 . . . . 0.0 110.796 178.206 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.4 -17.28 20.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 m -69.19 -54.23 15.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.877 0.37 . . . . 0.0 111.532 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -125.85 4.36 7.36 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.234 0.54 . . . . 0.0 110.091 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.625 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 13.5 mptt 66.51 38.06 4.33 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.645 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -86.88 130.44 34.46 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 83' ' ' ILE . 3.3 mp -75.32 114.2 15.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-O 120.64 0.257 . . . . 0.0 110.408 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' A' ' 77' ' ' ASP . 2.2 mp -68.74 -46.35 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.246 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -170.76 171.25 6.23 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.366 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -153.16 120.62 5.92 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -139.72 153.14 47.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.078 0.465 . . . . 0.0 111.635 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.07 147.38 38.7 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 175.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.545 HD12 HD12 ' A' ' 92' ' ' ILE . 7.6 tp -59.33 -39.28 78.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -175.058 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -70.32 -7.51 43.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.511 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -96.15 -2.28 46.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.975 0.417 . . . . 0.0 111.035 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.545 HD12 HD12 ' A' ' 89' ' ' ILE . 28.8 mt -74.61 111.65 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.814 178.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.1 m -55.62 -51.45 67.14 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.538 -177.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 48.9 t -169.36 160.43 9.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.427 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.9 132.19 23.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.355 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -141.84 164.98 28.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.729 0.3 . . . . 0.0 110.927 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 29.8 pt20 -128.71 162.32 27.64 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.75 123.35 83.97 Favored Pre-proline 0 C--N 1.317 -0.84 0 CA-C-O 120.882 0.372 . . . . 0.0 111.364 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -63.16 -29.15 73.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.589 2.193 . . . . 0.0 111.676 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -88.24 -6.8 57.6 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.699 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -154.34 102.61 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.954 0.407 . . . . 0.0 110.505 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.1 mt -80.43 13.98 2.21 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.527 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.1 t -118.09 13.36 13.84 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.2 m -135.05 134.19 40.13 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.891 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 32.1 p90 -138.55 149.16 45.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.172 0.51 . . . . 0.0 111.896 -177.13 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -139.32 124.25 18.72 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.184 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -133.9 164.16 27.89 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.982 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.31 137.64 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.921 0 CA-C-O 121.204 0.526 . . . . 0.0 112.132 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 118' ' ' TYR . 50.6 p -139.79 123.06 16.99 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.338 -1.301 . . . . 0.0 109.215 178.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.439 ' HD2' ' O ' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -89.86 133.82 34.53 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.299 -0.561 . . . . 0.0 111.113 178.52 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -115.92 141.21 48.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.64 -177.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 112' ' ' LEU . 8.0 tt -59.27 -34.6 72.46 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.545 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.468 ' HB2' ' HZ2' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -87.69 -7.68 57.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.077 0.465 . . . . 0.0 110.858 -177.674 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.413 ' HB2' ' CE2' ' A' ' 118' ' ' TYR . 33.0 t -98.78 -43.63 6.7 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.542 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 19.1 m120 70.52 5.24 5.3 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.403 -177.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -129.42 -179.98 5.46 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.084 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -98.11 114.4 26.58 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.384 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.438 ' CE1' HD21 ' A' ' 30' ' ' LEU . 10.6 m-85 -78.24 108.76 11.8 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.657 178.455 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.552 ' O ' ' HA ' ' A' ' 28' ' ' SER . 47.2 t -88.24 92.72 9.27 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -89.51 104.83 17.35 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.675 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.419 HG13 ' HE1' ' A' ' 47' ' ' MET . 1.7 p -114.51 115.08 48.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 CA-C-O 121.436 0.636 . . . . 0.0 109.964 178.059 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 16.6 m-85 -128.71 162.18 27.97 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.588 -177.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.43 HG23 ' HB3' ' A' ' 24' ' ' ALA . 3.2 t -122.03 138.5 54.41 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.111 0.481 . . . . 0.0 110.579 179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.17 159.62 18.8 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.508 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -85.6 -10.42 55.88 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 120.973 0.416 . . . . 0.0 110.208 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.451 ' HB2' ' HB2' ' A' ' 129' ' ' LEU . 25.4 m-20 -144.42 146.53 32.54 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.545 178.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 72.3 t -61.77 -46.69 95.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.898 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.487 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 53.8 t30 -63.7 -32.75 74.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.182 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 126' ' ' ASP . 2.2 tm? -61.36 -51.03 70.52 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.04 98.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.556 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.3 -45.2 88.41 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.144 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 128' ' ' ASN . 67.9 mm-40 -60.43 -47.92 84.01 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.671 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 79.2 mt -54.84 -55.43 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.121 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 50.8 mm -62.12 -34.5 63.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.075 0.464 . . . . 0.0 110.876 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.78 -54.32 37.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.752 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.673 HG21 ' SG ' ' A' ' 19' ' ' CYS . 9.5 t -68.77 -31.46 70.5 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.606 -178.223 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.435 HD23 HG21 ' A' ' 68' ' ' VAL . 51.3 mt -61.95 -52.03 65.71 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 175.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -61.64 -45.41 96.34 Favored Glycine 0 C--O 1.217 -0.908 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.746 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -56.87 -48.75 77.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.877 0.37 . . . . 0.0 110.921 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.57 84.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.358 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -75.7 -35.34 60.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.031 0.443 . . . . 0.0 110.565 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -72.17 -43.46 64.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.872 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.07 -24.39 35.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-O 120.996 0.427 . . . . 0.0 111.101 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.208 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.447 -0.613 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.506 ' HB2' HG13 ' A' ' 68' ' ' VAL . 89.2 m -118.53 117.73 29.79 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.213 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -115.5 105.59 12.98 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.585 -177.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.597 ' HB3' HD21 ' A' ' 129' ' ' LEU . 70.2 m-85 -124.09 151.79 43.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -176.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -104.46 134.1 48.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.48 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.29 170.67 15.52 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.456 ' HB1' HG21 ' A' ' 61' ' ' VAL . . . -97.95 125.28 42.79 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 178.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.586 ' O ' HG23 ' A' ' 61' ' ' VAL . 36.7 t80 -70.78 96.17 1.22 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.697 -177.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.418 ' HB3' ' O ' ' A' ' 121' ' ' VAL . 24.9 tp -78.26 -51.6 9.91 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 167.97 158.7 12.39 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 119.443 -1.361 . . . . 0.0 113.734 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.4 p -112.61 109.27 18.71 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -104.41 140.07 38.46 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.267 -175.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 116' ' ' HIS . 36.6 tp -96.69 125.74 41.37 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.6 mm -105.58 126.01 60.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.746 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -62.93 -58.73 6.36 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.542 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -117.69 105.56 12.14 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.121 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.693 HD21 HD13 ' A' ' 108' ' ' ILE . 0.8 OUTLIER -75.92 128.52 35.26 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.412 -177.653 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.414 ' N ' HD13 ' A' ' 34' ' ' LEU . 43.9 ptt85 -141.9 93.97 2.62 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.341 0.591 . . . . 0.0 111.885 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.32 -163.32 17.32 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-N 115.346 -0.843 . . . . 0.0 114.441 176.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.3 p -80.62 -1.77 43.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.314 0.578 . . . . 0.0 111.138 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -73.63 -20.81 60.48 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.1 m -71.39 -40.99 70.19 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.585 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.594 HG23 HD11 ' A' ' 108' ' ' ILE . 21.6 p -69.07 -40.16 78.65 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.956 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -58.15 -45.64 87.07 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.846 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -57.28 -50.64 72.28 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.46 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.77 -54.98 26.73 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.759 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 82.4 m -51.6 -52.73 45.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.167 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.67 89.64 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.991 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -56.73 -60.12 4.02 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.481 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -69.76 -38.12 76.64 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -176.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.51 HH12 ' HG3' ' A' ' 100' ' ' GLU . 16.3 ptm180 -66.25 -37.71 86.15 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.591 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.96 -41.91 77.35 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.004 0.431 . . . . 0.0 109.892 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -62.43 -37.0 84.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.521 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.5 t . . . . . 0 CA--C 1.535 0.383 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.57 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 25' ' ' TYR . 7.5 p . . . . . 0 CA--C 1.544 0.726 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -88.01 163.1 7.35 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.748 2.299 . . . . 0.0 111.791 176.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.5 m -94.59 129.68 41.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.951 0.405 . . . . 0.0 110.86 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.66 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -111.69 136.27 48.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.069 179.046 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.474 HG13 ' HB2' ' A' ' 78' ' ' ALA . 40.8 mt -104.77 113.75 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 176.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.505 HD23 ' CD1' ' A' ' 75' ' ' PHE . 4.4 mp -92.5 105.92 18.0 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.283 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.3 m -96.72 95.68 8.08 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.144 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.506 HG13 ' HB2' ' A' ' 19' ' ' CYS . 3.1 p -106.87 130.05 59.48 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.019 -176.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 t -124.27 156.78 36.3 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.61 -13.7 61.45 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -113.88 7.92 17.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.727 0.299 . . . . 0.0 111.494 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.43 152.19 7.01 Favored Glycine 0 C--O 1.219 -0.801 0 C-N-CA 120.065 -1.064 . . . . 0.0 111.824 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.54 HG11 HD11 ' A' ' 92' ' ' ILE . 6.7 p -135.14 130.18 51.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-O 121.069 0.461 . . . . 0.0 111.398 -176.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' ' 74' ' ' LYS . 12.4 ptpt -130.64 128.19 40.46 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.52 0.676 . . . . 0.0 111.395 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.66 ' HB3' HD11 ' A' ' 64' ' ' ILE . 22.2 m-85 -104.0 114.13 28.17 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.554 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.1 mt -120.1 150.39 22.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.406 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.523 ' HB3' ' H ' ' A' ' 82' ' ' ASN . 13.4 t70 -72.01 149.72 44.69 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.474 ' HB2' HG13 ' A' ' 65' ' ' ILE . . . -84.18 -25.42 29.56 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -175.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 m -94.53 -55.17 3.24 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -114.18 20.55 15.5 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.877 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt 48.4 31.5 2.8 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.856 0.862 . . . . 0.0 112.39 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.523 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 38.6 t30 -55.41 125.81 22.44 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.02 177.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 83' ' ' ILE . 3.6 mp -72.76 100.83 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.084 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.089 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.1 mt -82.92 -60.23 2.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -177.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.59 113.73 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.894 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -114.13 121.08 42.7 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.935 176.881 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -150.42 -171.52 3.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.296 0.57 . . . . 0.0 111.505 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -105.88 154.0 21.16 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.14 177.744 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.458 HD12 HD12 ' A' ' 92' ' ' ILE . 7.4 tp -61.37 -25.08 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 120.817 0.341 . . . . 0.0 111.628 -176.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -65.37 -24.67 67.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.145 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -84.86 -10.04 57.54 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 120.815 0.34 . . . . 0.0 111.296 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.54 HD11 HG11 ' A' ' 73' ' ' VAL . 30.1 mt -82.94 112.23 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 176.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.7 t -79.3 -36.88 38.94 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.386 -175.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.5 t -157.53 162.56 38.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.814 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.01 107.24 4.54 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.15 -179.14 4.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.324 0.583 . . . . 0.0 111.9 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 6.6 pt20 -141.27 163.92 31.65 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.52 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.59 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 11.0 t70 -68.37 139.96 92.41 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-O 120.523 0.201 . . . . 0.0 110.766 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 62.1 Cg_exo -53.22 -48.13 23.75 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.212 2.608 . . . . 0.0 113.891 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.51 ' HG3' HH12 ' A' ' 48' ' ' ARG . 9.1 pt-20 -103.15 -28.36 11.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -175.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.59 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 11.4 t70 -103.64 104.87 14.97 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.056 0.455 . . . . 0.0 110.558 -178.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -82.8 7.63 14.6 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.245 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.7 t -104.55 3.19 31.59 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.1 m -119.72 124.0 45.15 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.909 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.496 ' HB2' HD11 ' A' ' 134' ' ' ILE . 44.4 p90 -124.74 153.74 41.94 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.765 0.316 . . . . 0.0 110.993 -178.041 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 120' ' ' HIS . . . -147.53 118.53 7.69 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.567 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -109.3 148.44 31.03 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.239 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.693 HD13 HD21 ' A' ' 34' ' ' LEU . 74.7 mt -110.26 126.57 67.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.002 -177.414 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.404 HG22 HG12 ' A' ' 92' ' ' ILE . 6.8 p -116.96 140.72 49.14 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.368 178.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -85.86 98.29 10.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.479 0.657 . . . . 0.0 109.924 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -89.41 98.79 11.97 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.106 -175.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.2 -23.29 67.26 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.818 -175.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -80.18 -13.16 59.47 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.69 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.4 p -111.44 -4.77 14.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.94 0.4 . . . . 0.0 110.308 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 66.8 t30 67.82 6.84 5.33 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.753 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.487 ' HB2' HD11 ' A' ' 30' ' ' LEU . 97.3 m-70 -136.02 -171.58 2.91 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 121.947 -0.47 . . . . 0.0 111.0 -178.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -104.97 123.81 48.43 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.998 0.428 . . . . 0.0 111.641 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -93.25 120.27 33.35 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.063 177.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 24.5 p -102.01 121.24 41.8 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.438 ' O ' ' HA ' ' A' ' 106' ' ' ALA . 28.8 m170 -102.05 108.21 19.57 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.305 -177.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 7.6 p -101.61 122.36 53.67 Favored 'Isoleucine or valine' 0 C--O 1.247 0.967 0 CA-C-O 121.24 0.543 . . . . 0.0 110.233 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 22.7 m-85 -130.13 142.85 50.55 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.824 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 75.0 p -100.43 116.42 32.34 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.57 164.36 25.43 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 120.815 0.341 . . . . 0.0 110.497 -178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -95.86 13.61 26.16 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.361 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 129' ' ' LEU . 19.6 t70 -170.81 142.08 1.88 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.769 -178.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.94 -53.79 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.954 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -63.22 -35.44 80.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.944 0.402 . . . . 0.0 110.554 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.597 HD21 ' HB3' ' A' ' 21' ' ' TYR . 5.2 tt -60.01 -48.11 83.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.498 178.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.06 -44.34 96.1 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.392 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.97 -40.21 84.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.553 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -61.8 -43.98 97.78 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.209 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 129' ' ' LEU . 68.6 mt -59.69 -51.23 75.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.266 178.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.496 HD11 ' HB2' ' A' ' 105' ' ' PHE . 33.2 mm -62.48 -43.47 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.591 ' O ' ' HG2' ' A' ' 139' ' ' GLN . 9.9 tt -58.05 -47.75 82.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 32.5 m -63.61 -45.25 91.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 99.1 mt -57.31 -41.04 79.14 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.04 0.448 . . . . 0.0 109.793 176.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -64.52 -38.43 95.73 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.062 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 29.3 mm-40 -65.49 -42.85 91.72 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.989 0.423 . . . . 0.0 110.228 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.62 88.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.823 177.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.45 -34.61 78.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.955 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.65 -48.21 67.36 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.936 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.7 p -69.81 -22.2 24.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-O 120.986 0.422 . . . . 0.0 110.949 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.009 0.433 . . . . 0.0 110.861 178.645 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.435 -1.213 0 CA-C-O 120.984 0.421 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.9 m -111.48 105.28 13.83 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 176.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -108.61 114.57 28.49 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.754 -175.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.413 ' CB ' HD21 ' A' ' 129' ' ' LEU . 41.0 m-85 -136.86 174.98 10.03 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -108.47 120.02 41.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.002 0.43 . . . . 0.0 110.529 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.09 176.05 5.18 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.562 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.493 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -116.42 121.54 42.18 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -71.1 96.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.077 -176.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.484 ' HB3' ' O ' ' A' ' 121' ' ' VAL . 32.3 tp -78.64 -62.52 1.66 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.257 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.46 165.28 36.08 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 119.617 -1.278 . . . . 0.0 113.548 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 p -128.4 103.39 7.12 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 122.73 0.412 . . . . 0.0 110.259 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.81 158.29 15.96 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 120.905 0.383 . . . . 0.0 111.324 -177.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.5 mt -104.55 117.13 33.38 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.8 mm -96.24 131.0 44.12 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.07 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -82.91 -69.0 0.66 Allowed 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -92.44 107.84 19.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.782 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.553 HD21 HD13 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -89.35 111.62 22.52 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -178.285 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -142.49 109.33 5.46 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.272 0.558 . . . . 0.0 111.769 -179.1 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.71 -144.61 30.19 Favored Glycine 0 C--N 1.331 0.259 0 CA-C-N 115.215 -0.902 . . . . 0.0 113.463 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.4 t -97.17 9.24 42.71 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.095 0.474 . . . . 0.0 110.243 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -68.93 -39.27 79.7 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.08 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.0 m -62.5 -44.55 96.1 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.4 p -68.52 -42.8 78.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.441 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -63.92 -35.66 81.4 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.969 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.587 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 18.4 t70 -59.97 -60.06 4.43 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.185 177.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.57 84.76 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.083 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.9 t -58.49 -60.82 3.2 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.403 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.27 86.44 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -176.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 44.4 mmtm -61.32 -52.05 66.31 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.252 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 48.1 mtm -72.93 -38.74 66.72 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.465 -0.494 . . . . 0.0 112.117 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.441 HH12 ' HG3' ' A' ' 100' ' ' GLU . 64.0 ttt180 -57.01 -46.62 82.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.796 0.332 . . . . 0.0 110.508 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.92 -47.85 56.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.54 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -57.27 -38.85 74.53 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.637 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.464 -178.745 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.493 HG23 ' HB1' ' A' ' 24' ' ' ALA . 32.5 m . . . . . 0 CA--C 1.541 0.605 0 CA-C-O 120.45 0.167 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.35 144.48 91.2 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.091 2.528 . . . . 0.0 112.974 -178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.1 m -84.01 135.74 34.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.107 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.469 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -129.31 128.8 66.92 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.763 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.474 ' H ' HD12 ' A' ' 65' ' ' ILE . 4.3 mp -75.78 109.42 9.34 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.587 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.99 99.17 11.95 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.296 -178.169 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.428 ' HB3' ' HB2' ' A' ' 74' ' ' LYS . 22.8 t -112.55 116.14 29.75 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 121.382 0.611 . . . . 0.0 110.052 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.454 HG21 HD23 ' A' ' 137' ' ' LEU . 2.3 p -123.36 134.31 66.66 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.529 -177.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.7 p -145.14 161.81 38.58 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.38 -1.66 13.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.079 0.466 . . . . 0.0 110.693 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -105.25 -9.09 17.89 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.618 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 154.03 171.11 20.72 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.234 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.5 m -124.47 136.52 60.29 Favored 'Isoleucine or valine' 0 C--O 1.248 0.999 0 CA-C-O 121.295 0.569 . . . . 0.0 111.591 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 67' ' ' SER . 73.9 mmtt -122.93 122.54 38.82 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.062 -178.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.469 ' HB3' HD11 ' A' ' 64' ' ' ILE . 22.5 m-85 -123.92 98.86 5.99 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.3 mp -117.46 144.65 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.976 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.707 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 7.8 t70 -74.76 143.23 44.15 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.554 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.42 -19.87 16.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.913 0.387 . . . . 0.0 110.684 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -63.73 -50.7 68.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.059 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -139.1 23.98 2.56 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.707 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 64.1 pttt 52.87 32.44 12.46 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.363 1.065 . . . . 0.0 112.236 178.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -65.47 123.64 20.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.242 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.8 mt -72.83 101.11 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.9 mt -81.52 -65.34 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.623 -176.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.45 141.22 10.42 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.41 -0.516 . . . . 0.0 112.235 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -140.38 121.25 14.49 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -147.31 171.95 14.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.316 0.579 . . . . 0.0 112.184 -175.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -66.19 145.3 55.94 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.869 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.4 tt -63.25 -31.17 51.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.168 0.509 . . . . 0.0 110.62 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -68.86 -8.58 45.16 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.384 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -16.24 57.72 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.064 0.459 . . . . 0.0 109.847 178.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.5 mt -82.32 138.72 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.867 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.5 m -92.6 -42.79 9.47 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.522 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.7 t -164.47 170.47 15.89 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.814 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.28 121.4 16.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.211 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.58 179.45 5.93 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.435 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -148.65 173.92 12.7 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.593 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 11.1 t70 -70.94 131.36 87.44 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 31.6 Cg_exo -58.94 -27.13 83.77 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 123.074 2.516 . . . . 0.0 114.199 -176.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.441 ' HG3' HH12 ' A' ' 48' ' ' ARG . 7.9 pt-20 -115.6 -34.0 5.02 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.371 -0.532 . . . . 0.0 112.081 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.593 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 21.0 t70 -102.13 96.19 6.83 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-O 121.22 0.533 . . . . 0.0 109.959 179.3 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -75.05 12.34 0.91 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.532 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.403 ' HB2' HG22 ' A' ' 127' ' ' VAL . 7.4 t -104.71 12.06 33.28 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.098 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 m -130.14 123.06 29.45 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.826 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.47 ' HB2' HD11 ' A' ' 134' ' ' ILE . 44.4 p90 -121.79 145.96 47.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.005 0.431 . . . . 0.0 110.826 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 121' ' ' VAL . . . -138.74 111.97 8.03 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.724 -178.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -103.86 144.31 31.67 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 120.961 0.41 . . . . 0.0 110.225 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.553 HD13 HD21 ' A' ' 34' ' ' LEU . 61.1 mt -106.1 125.3 61.71 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.191 -178.205 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.9 p -114.17 149.49 35.62 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 123.676 0.61 . . . . 0.0 110.569 178.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -107.11 99.34 8.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.25 0.548 . . . . 0.0 110.815 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.536 ' OD2' ' HB2' ' A' ' 113' ' ' LYS . 24.2 t70 -100.81 97.67 8.26 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.94 -178.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -60.23 -19.51 54.85 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.73 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.536 ' HB2' ' OD2' ' A' ' 111' ' ' ASP . 1.9 mtpm? -66.96 -36.4 82.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.547 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.2 t -98.09 -12.07 22.22 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.263 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 63.04 24.17 14.37 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.757 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -144.12 155.93 44.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.667 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -84.28 130.48 34.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.475 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -93.78 125.2 38.26 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.721 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 54.0 t -104.52 96.75 6.81 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -91.92 103.99 16.46 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 2.4 p -110.79 119.55 59.72 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.578 -178.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -126.34 156.93 39.68 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.82 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.45 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 40.2 p -102.93 164.47 11.6 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.409 ' CB ' ' HB2' ' A' ' 130' ' ' ALA . . . -121.46 160.02 25.04 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 120.8 0.333 . . . . 0.0 110.505 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -87.52 -11.81 47.72 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.698 178.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -144.03 133.26 23.07 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.358 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.403 HG22 ' HB2' ' A' ' 103' ' ' SER . 57.3 t -61.62 -50.56 79.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.645 -178.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.58 -37.43 78.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.554 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.413 HD21 ' CB ' ' A' ' 21' ' ' TYR . 6.4 tt -60.12 -50.93 71.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.053 177.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.409 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . . . -61.41 -44.22 97.51 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.839 0.352 . . . . 0.0 110.959 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.23 76.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.395 178.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.59 -39.63 88.51 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.613 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 70.0 mt -62.12 -47.17 94.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.098 177.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.47 HD11 ' HB2' ' A' ' 105' ' ' PHE . 40.5 mm -60.35 -43.07 92.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 121.136 0.493 . . . . 0.0 110.414 177.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.77 -50.66 72.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.716 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 56.1 m -60.16 -50.64 72.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.284 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.454 HD23 HG21 ' A' ' 68' ' ' VAL . 69.0 mt -54.91 -47.81 73.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.656 0.265 . . . . 0.0 111.01 179.01 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.465 ' O ' ' HB2' ' A' ' 142' ' ' GLU . . . -60.05 -53.28 47.04 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.315 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -60.88 -49.39 77.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 111.257 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.7 93.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.897 -177.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -71.13 -32.11 68.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.794 0.331 . . . . 0.0 110.865 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' ' 138' ' ' GLY . 2.5 tp10 -71.72 -45.34 62.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.623 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.63 -22.6 25.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 121.047 0.451 . . . . 0.0 110.762 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 121.209 0.528 . . . . 0.0 110.209 177.484 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 39.6 p . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.74 0.305 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.7 p -148.14 158.71 44.23 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 120.76 0.314 . . . . 0.0 111.084 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -121.18 105.27 10.43 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 132' ' ' GLU . 49.1 m-85 -118.23 133.22 56.08 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 120.767 0.318 . . . . 0.0 111.091 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -79.67 111.5 16.03 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 121.145 0.498 . . . . 0.0 110.931 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.24 164.97 11.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.478 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.458 ' HB3' ' OG1' ' A' ' 123' ' ' THR . . . -99.89 126.13 45.98 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.483 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 5.4 t80 -72.37 100.74 2.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -177.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.0 tp -84.29 -57.4 3.18 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.56 145.13 6.18 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 119.257 -1.449 . . . . 0.0 113.894 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -106.23 108.73 20.39 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 175.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.7 tpp -110.79 139.51 46.02 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.028 0.442 . . . . 0.0 111.737 -174.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -92.19 117.19 29.63 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.748 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mm -106.73 164.31 4.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -80.34 -141.48 0.04 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -77.67 75.86 4.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.426 0.632 . . . . 0.0 111.004 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.5 ' HB3' ' OG ' ' A' ' 39' ' ' SER . 1.6 mm? -107.83 114.63 28.72 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.88 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -117.64 29.87 7.6 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.102 -174.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -146.01 -179.75 22.44 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.735 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.0 p -75.72 -3.28 33.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.226 0.536 . . . . 0.0 111.171 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.28 -38.63 74.23 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.5 ' OG ' ' HB3' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -65.8 -48.16 72.7 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.641 -179.151 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.444 HG23 HD11 ' A' ' 108' ' ' ILE . 15.2 p -61.52 -45.98 91.9 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.8 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -64.48 -43.03 95.47 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.347 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.647 ' OD2' ' HE2' ' A' ' 46' ' ' LYS . 31.4 t70 -64.0 -57.04 10.88 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.24 -177.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.67 -51.84 68.07 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.38 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.5 t -57.94 -42.35 84.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.494 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.34 95.01 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.877 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.647 ' HE2' ' OD2' ' A' ' 42' ' ' ASP . 68.7 mttm -56.88 -60.53 3.43 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.6 178.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -64.87 -39.44 93.55 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.986 -178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.2 ttm-85 -56.16 -40.78 74.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.801 0.334 . . . . 0.0 111.138 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.81 -27.29 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -93.47 -4.52 51.05 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.9 p . . . . . 0 N--CA 1.47 0.564 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.572 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.401 ' CG2' ' HB1' ' A' ' 24' ' ' ALA . 27.8 m . . . . . 0 C--O 1.244 0.766 0 CA-C-O 120.424 0.154 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -53.46 129.56 34.33 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.571 2.18 . . . . 0.0 111.64 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.2 m -82.9 123.89 29.82 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -109.1 121.72 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.114 -179.002 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 54.8 mt -75.88 105.8 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.285 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.84 91.51 3.54 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.836 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.51 ' HB2' ' HG2' ' A' ' 74' ' ' LYS . 70.2 m -99.51 96.65 7.82 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-O 121.678 0.752 . . . . 0.0 111.133 -177.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.6 p -98.56 124.38 51.68 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.9 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.6 t -129.32 171.93 12.0 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.227 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.34 104.97 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.072 -177.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.7 mttp 69.9 0.9 3.23 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.952 0.901 . . . . 0.0 112.809 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -143.14 117.68 1.14 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.162 -1.018 . . . . 0.0 112.359 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.406 HG22 HG23 ' A' ' 68' ' ' VAL . 45.3 t -113.91 131.49 65.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-O 121.099 0.476 . . . . 0.0 110.487 -179.171 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.51 ' HG2' ' HB2' ' A' ' 67' ' ' SER . 0.2 OUTLIER -126.41 135.34 51.29 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.558 0.694 . . . . 0.0 111.085 -179.249 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.632 ' HB3' HD11 ' A' ' 64' ' ' ILE . 12.7 m-85 -110.82 117.53 33.66 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.551 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.2 mt -124.37 154.13 31.36 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.934 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.427 -175.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.651 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 27.5 t70 -80.47 150.71 29.6 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.02 -43.44 13.13 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.8 m -77.87 -49.84 13.44 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -175.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -91.3 -17.66 25.58 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 121.023 0.44 . . . . 0.0 110.316 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 58.2 mttm 61.47 23.57 13.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.055 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -74.71 138.81 43.02 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.546 -1.207 . . . . 0.0 109.351 178.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.464 HD11 ' HG3' ' A' ' 86' ' ' GLU . 9.7 tp -72.7 128.76 35.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.857 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 42.3 mm -85.65 -55.24 6.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -175.34 151.89 1.31 Allowed 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.375 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.464 ' HG3' HD11 ' A' ' 83' ' ' ILE . 3.6 mp0 -128.53 133.38 48.4 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.277 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -147.78 164.65 32.96 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.862 0.363 . . . . 0.0 110.67 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -88.16 165.27 15.21 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.052 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.3 mm -59.75 -30.4 44.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.02 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.444 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 1.4 mmp_? -63.41 -18.75 64.04 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.504 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 109' ' ' THR . 19.8 m120 -84.9 -25.83 27.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.782 0.325 . . . . 0.0 110.501 178.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 54.2 mt -89.39 107.19 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.2 t -102.04 -34.09 9.46 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.484 -177.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 33.6 m -127.69 110.45 12.67 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.967 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.71 97.67 7.36 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.0 -176.62 3.31 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.874 0.369 . . . . 0.0 110.551 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.521 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 5.1 pm0 -134.19 172.93 12.17 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.122 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.556 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 10.4 t70 -63.52 139.33 97.58 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.628 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -56.53 -39.52 90.73 Favored 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 123.434 2.756 . . . . 0.0 114.167 -178.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -105.74 -29.73 9.88 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -175.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.556 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 37.4 t70 -113.92 124.09 51.35 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.12 0.486 . . . . 0.0 111.715 -177.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -84.49 -1.31 55.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.934 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.7 t -96.89 13.61 28.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.32 0.581 . . . . 0.0 110.092 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.422 ' HB ' ' HB2' ' A' ' 98' ' ' ASP . 28.5 m -132.93 131.58 41.02 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.586 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.521 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 39.8 p90 -123.63 149.91 44.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.983 0.42 . . . . 0.0 111.061 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.75 125.99 16.51 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.067 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 41.8 p90 -120.12 141.71 49.57 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 121.038 0.447 . . . . 0.0 111.112 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.444 HD11 HG23 ' A' ' 40' ' ' THR . 31.5 mt -105.94 122.42 59.52 Favored 'Isoleucine or valine' 0 C--O 1.255 1.37 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.869 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 91' ' ' ASN . 13.4 p -111.12 130.0 55.76 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.151 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.54 112.25 24.07 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.159 0.504 . . . . 0.0 111.186 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -103.8 108.42 19.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.245 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.6 pp -68.76 -1.3 6.75 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -98.31 -18.99 18.05 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.749 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.463 ' O ' ' HB3' ' A' ' 115' ' ' ASN . 39.9 t -106.42 -28.83 10.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.463 ' HB3' ' O ' ' A' ' 114' ' ' SER . 34.7 t-20 77.39 -33.25 0.19 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -176.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.457 ' H ' ' C ' ' A' ' 114' ' ' SER . 54.2 m-70 -79.67 138.96 37.52 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.521 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -89.7 120.57 31.08 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.096 0.474 . . . . 0.0 110.609 -178.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -76.37 115.15 15.85 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.179 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 49.7 t -107.95 109.52 21.03 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 60.6 m-70 -105.27 116.08 31.34 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -178.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.18 126.09 67.42 Favored 'Isoleucine or valine' 0 C--O 1.25 1.096 0 CA-C-O 121.207 0.527 . . . . 0.0 110.33 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 24.8 m-85 -128.92 143.3 50.85 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.79 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.458 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 41.4 p -98.12 137.13 37.35 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.149 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -94.44 151.86 19.05 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -82.55 -1.73 51.52 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.471 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.441 ' HB3' ' HB2' ' A' ' 129' ' ' LEU . 12.7 t70 -159.83 147.36 16.76 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.905 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.98 -40.57 89.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.819 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.474 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 57.7 t30 -65.39 -36.85 85.21 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.441 ' HB2' ' HB3' ' A' ' 126' ' ' ASP . 2.2 tm? -59.95 -46.55 89.03 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.138 178.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.04 99.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.564 177.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.3 91.7 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.593 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.534 ' HB3' ' CE2' ' A' ' 21' ' ' TYR . 56.3 mm-40 -57.34 -49.85 74.84 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.596 177.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.0 mt -62.46 -47.41 93.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 21.0 mm -57.85 -46.93 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 120.834 0.349 . . . . 0.0 110.451 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.5 tt -59.53 -53.22 60.61 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.012 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 8.8 m -61.42 -46.5 89.88 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.549 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.2 -45.37 93.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.917 0.389 . . . . 0.0 110.78 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -61.99 -48.91 80.29 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.433 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.63 -39.1 93.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.549 0.214 . . . . 0.0 111.38 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.36 99.26 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.845 0.355 . . . . 0.0 110.58 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -69.24 -40.31 77.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.636 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -63.17 -55.61 23.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.786 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.99 -29.49 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.781 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.144 0 CA-C-O 120.896 0.379 . . . . 0.0 111.297 -179.79 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.0 p . . . . . 0 N--CA 1.448 -0.569 0 CA-C-O 120.735 0.303 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 21' ' ' TYR . 87.3 m -109.18 109.29 20.21 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.325 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -104.38 106.05 16.4 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.152 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 19' ' ' CYS . 39.0 m-85 -129.89 178.38 6.56 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.619 0.247 . . . . 0.0 110.779 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -110.8 128.13 55.64 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.99 162.83 22.63 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.53 ' HB3' ' OG1' ' A' ' 123' ' ' THR . . . -102.32 129.14 48.67 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.435 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 2.9 t80 -73.6 95.09 2.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -176.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 tp -81.88 -57.75 3.29 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.356 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.56 163.66 30.23 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 118.933 -1.603 . . . . 0.0 114.023 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.7 p -118.51 102.84 9.21 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 176.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.5 tpp -98.71 134.33 41.78 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.63 -174.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.52 HD21 ' CG ' ' A' ' 116' ' ' HIS . 6.0 tt -90.68 121.18 32.35 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.886 -178.477 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' A' ' 39' ' ' SER . 17.0 mm -114.46 127.65 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.894 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -84.53 -40.22 17.87 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.888 0.375 . . . . 0.0 110.42 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -119.2 112.89 20.06 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.372 0.606 . . . . 0.0 110.794 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 117' ' ' HIS . 3.2 mm? -86.2 99.87 11.84 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.869 -177.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -94.68 81.4 3.85 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.16 -136.21 49.82 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.369 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.2 p -95.49 -7.69 37.39 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.156 0.503 . . . . 0.0 109.833 178.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -56.63 -39.14 73.13 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.361 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.423 ' HB3' HG21 ' A' ' 31' ' ' ILE . 26.1 m -62.41 -48.36 80.04 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-O 120.887 0.375 . . . . 0.0 111.11 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.3 p -63.69 -37.24 86.62 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.234 0.54 . . . . 0.0 110.397 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -74.74 -27.92 60.56 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.878 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.62 -52.41 60.97 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.04 95.02 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.54 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.559 ' SG ' ' HB2' ' A' ' 98' ' ' ASP . 42.2 t -59.15 -61.01 2.96 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.49 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.6 -40.05 74.64 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 120.666 0.27 . . . . 0.0 111.107 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -55.37 -55.37 32.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.719 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 61.6 mtm -75.94 -28.75 58.09 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -64.06 -45.21 89.78 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.901 0.382 . . . . 0.0 109.982 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.06 63.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -91.02 -0.71 57.8 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.0 t . . . . . 0 C--O 1.234 0.26 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.615 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.524 ' HB ' ' HD2' ' A' ' 62' ' ' PRO . 3.9 m . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.524 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 6.4 Cg_endo -49.48 129.61 23.49 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 123.144 2.563 . . . . 0.0 113.29 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.1 m -83.99 128.33 34.47 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.28 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.544 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -119.12 131.88 70.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.642 -179.547 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 53.5 mt -77.56 109.76 12.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 CA-C-O 121.249 0.547 . . . . 0.0 109.767 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.93 97.13 10.77 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.525 -177.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.416 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . 34.4 m -104.35 104.93 14.89 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.395 0.616 . . . . 0.0 110.464 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' A' ' 19' ' ' CYS . 2.4 p -109.41 120.61 60.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.197 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 m -121.95 153.29 38.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.11 -13.34 47.05 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -119.15 20.88 12.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.855 0.36 . . . . 0.0 110.895 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 146.48 160.56 8.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 119.933 -1.127 . . . . 0.0 112.739 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.408 HG11 HD11 ' A' ' 92' ' ' ILE . 18.4 m -120.25 142.39 36.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-O 121.242 0.544 . . . . 0.0 111.453 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' HB2' ' HB2' ' A' ' 67' ' ' SER . 18.9 mmmt -128.01 120.74 28.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.096 -177.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.544 ' HB3' HD11 ' A' ' 64' ' ' ILE . 12.4 m-85 -114.92 111.23 20.85 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.4 ' O ' HG12 ' A' ' 64' ' ' ILE . 3.3 mp -119.71 145.09 26.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.735 -177.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.597 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 8.0 t70 -75.7 141.18 42.76 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.265 177.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.36 12.19 37.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.777 0.322 . . . . 0.0 111.809 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 m -98.98 -58.56 1.91 Allowed 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.308 0.575 . . . . 0.0 110.389 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -124.01 16.24 9.26 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.014 -178.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.597 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 11.3 ptmm? 53.56 30.08 10.18 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.616 1.167 . . . . 0.0 111.983 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -71.01 132.83 45.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.397 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.3 mm -68.85 111.55 3.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-O 120.896 0.379 . . . . 0.0 110.268 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.49 ' HB ' ' O ' ' A' ' 75' ' ' PHE . 47.7 mm -67.83 -63.31 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -175.22 141.09 0.53 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.607 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.43 140.11 47.44 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 173.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -140.6 152.38 45.42 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.296 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.41 153.01 44.22 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 174.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.0 tp -59.85 -40.17 81.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.771 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.8 mtt-85 -71.54 -3.53 21.78 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -72.61 -28.03 62.52 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.408 HD11 HG11 ' A' ' 73' ' ' VAL . 27.2 mt -79.94 130.47 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t -93.97 -40.48 10.1 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.746 -177.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.1 t -163.66 170.25 17.37 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.975 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.87 130.98 34.69 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.725 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.59 -178.46 5.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.41 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -152.92 165.29 35.95 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.825 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.675 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 14.1 t70 -64.24 141.78 98.19 Favored Pre-proline 0 N--CA 1.469 0.499 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -178.029 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 23.6 Cg_exo -63.95 -37.17 45.34 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.811 2.34 . . . . 0.0 113.453 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -108.11 -34.7 6.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -176.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.675 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 12.7 t70 -100.58 104.18 15.52 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.125 0.488 . . . . 0.0 110.243 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.03 0.7 34.62 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.744 -176.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.0 p -98.89 17.36 19.73 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.026 0.441 . . . . 0.0 110.591 177.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.0 m -132.48 118.27 19.09 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 122' ' ' PHE . 40.8 p90 -116.98 147.07 42.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.974 -178.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.9 111.34 7.53 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -107.5 143.44 35.89 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.049 0.452 . . . . 0.0 110.735 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 57.3 mt -98.1 125.34 51.39 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.205 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 64.0 p -119.35 164.95 14.93 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -110.98 135.91 50.78 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.019 178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -109.92 97.18 6.75 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.534 HD23 ' H ' ' A' ' 112' ' ' LEU . 2.5 pt? -61.92 -9.41 6.9 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -175.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.413 ' HD2' ' HG ' ' A' ' 112' ' ' LEU . 2.1 mptm? -92.15 -32.03 15.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.123 0.487 . . . . 0.0 110.448 177.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.4 t -91.57 -22.78 20.15 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 19.7 m120 66.15 28.23 10.22 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.798 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.52 ' CG ' HD21 ' A' ' 30' ' ' LEU . 36.0 m80 -129.42 170.08 14.12 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.697 -178.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.461 ' HB2' HD21 ' A' ' 34' ' ' LEU . 12.3 m170 -103.75 124.29 48.62 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.7 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -104.47 119.2 38.42 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.806 -178.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 23.0 p -91.35 108.13 19.68 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.435 ' HB3' ' CE2' ' A' ' 122' ' ' PHE . 66.0 m80 -89.92 104.86 17.39 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.99 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.6 p -104.18 126.83 58.81 Favored 'Isoleucine or valine' 0 C--O 1.25 1.086 0 CA-C-O 121.543 0.687 . . . . 0.0 110.87 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 98.9 m-85 -127.5 145.88 50.69 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.199 -178.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.53 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 5.1 p -99.09 130.97 45.45 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.36 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.52 144.67 26.39 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -81.05 2.17 28.28 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.357 0.599 . . . . 0.0 109.882 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.473 ' HB3' ' HB2' ' A' ' 129' ' ' LEU . 17.7 t70 -151.99 131.46 12.98 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.894 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.24 -45.39 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-O 121.026 0.441 . . . . 0.0 111.187 -178.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.615 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 3.6 t30 -61.3 -44.42 97.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.019 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.516 HD21 ' CG ' ' A' ' 21' ' ' TYR . 3.2 tm? -54.36 -45.3 72.74 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.32 179.164 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.22 95.51 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.456 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.11 -38.99 88.27 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.942 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 128' ' ' ASN . 7.1 mm-40 -60.3 -48.83 80.06 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.309 178.26 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.47 -46.0 89.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.914 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.445 HD11 ' HB2' ' A' ' 105' ' ' PHE . 37.2 mm -60.34 -43.99 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.056 0.455 . . . . 0.0 110.215 177.53 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.17 -43.76 98.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.025 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 27.7 m -61.66 -49.81 75.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.714 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.76 -44.77 96.32 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.062 0.458 . . . . 0.0 110.39 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.01 -45.24 94.03 Favored Glycine 0 N--CA 1.443 -0.833 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.14 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLN . . . . . 0.445 ' HA ' ' HB2' ' A' ' 142' ' ' GLU . 86.2 mm-40 -70.02 -28.61 65.63 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 120.39 0.138 . . . . 0.0 111.255 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.93 97.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.946 0.403 . . . . 0.0 109.967 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -72.15 -41.92 66.55 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.473 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 139' ' ' GLN . 9.0 mm-40 -58.37 -48.21 81.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.894 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.7 p -68.97 -10.25 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-O 120.989 0.424 . . . . 0.0 111.38 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.425 0 CA-C-O 121.17 0.509 . . . . 0.0 110.125 177.591 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 N--CA 1.44 -0.95 0 CA-C-O 121.157 0.503 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.411 ' SG ' HG21 ' A' ' 136' ' ' THR . 31.0 p -158.63 152.32 23.31 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.296 175.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -137.6 115.86 11.81 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.102 -177.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -133.17 175.97 8.92 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.716 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.441 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -111.14 110.68 21.31 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.221 0.534 . . . . 0.0 110.359 177.437 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.89 171.03 7.63 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.252 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.03 130.43 55.48 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.27 97.18 1.2 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.032 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.434 HD13 ' OG1' ' A' ' 123' ' ' THR . 14.2 tp -80.2 -60.07 2.47 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.322 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.422 ' HA3' ' SD ' ' A' ' 47' ' ' MET . . . -170.97 156.21 26.14 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 119.56 -1.305 . . . . 0.0 113.621 178.207 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t -123.66 105.51 9.77 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -113.58 138.63 49.9 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.028 0.442 . . . . 0.0 111.769 -175.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 116' ' ' HIS . 51.2 tp -108.47 127.55 54.01 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.564 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -108.82 136.28 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -54.68 -67.44 0.27 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.577 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -142.33 126.67 17.65 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.551 HD13 ' H ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -157.34 153.31 27.15 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -175.515 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.551 ' H ' HD13 ' A' ' 34' ' ' LEU . 37.7 ptt180 -134.47 145.94 49.3 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.8 0.333 . . . . 0.0 110.684 177.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.69 -177.13 52.45 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.967 -0.635 . . . . 0.0 113.25 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.435 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 7.9 p -75.29 8.33 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.286 0.634 . . . . 0.0 111.633 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.527 ' HB3' HD11 ' A' ' 34' ' ' LEU . 47.4 tp10 -61.45 -36.49 80.52 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.15 178.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 m -62.93 -44.95 94.69 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-O 121.063 0.459 . . . . 0.0 110.83 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.562 ' HA ' ' SG ' ' A' ' 119' ' ' CYS . 44.9 p -67.68 -52.57 36.31 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.512 -176.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 37' ' ' THR . 19.8 pt20 -63.54 -37.55 87.72 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -64.29 -62.01 1.88 Allowed 'General case' 0 C--O 1.242 0.7 0 CA-C-O 120.919 0.39 . . . . 0.0 110.835 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.17 98.22 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.012 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 98' ' ' ASP . 42.8 t -63.71 -50.72 68.06 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.217 -178.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.79 -43.46 85.63 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.742 0.306 . . . . 0.0 111.017 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -57.15 -53.82 53.8 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.965 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.422 ' SD ' ' HA3' ' A' ' 27' ' ' GLY . 66.0 mtm -72.98 -28.29 62.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -177.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -61.87 -50.93 70.25 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.82 -38.19 90.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.755 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -69.47 -29.33 66.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.666 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.1 t . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.043 -179.025 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.3 153.98 24.58 Favored 'Trans proline' 0 C--O 1.239 0.534 0 C-N-CA 122.448 2.098 . . . . 0.0 112.256 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.8 m -86.87 136.57 32.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.662 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.455 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -126.39 129.14 71.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.833 -179.291 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.437 ' H ' HD12 ' A' ' 65' ' ' ILE . 4.3 mp -73.78 112.57 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.63 98.3 11.59 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.136 -179.09 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -109.41 108.75 19.4 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-O 121.271 0.558 . . . . 0.0 110.002 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.464 HG21 HD23 ' A' ' 137' ' ' LEU . 2.2 p -120.0 126.19 75.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.574 -177.402 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.8 m -130.62 157.74 41.93 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.562 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.36 -11.28 30.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.807 0.337 . . . . 0.0 111.792 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -107.02 -6.06 17.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.485 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 164.36 161.55 13.66 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.215 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.482 HG11 HD11 ' A' ' 92' ' ' ILE . 8.7 p -132.83 131.78 59.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-O 120.978 0.418 . . . . 0.0 110.302 -178.146 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HG3' ' HG3' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -122.53 141.23 51.89 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.119 0.485 . . . . 0.0 111.233 -177.608 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.455 ' HB3' HD11 ' A' ' 64' ' ' ILE . 10.0 m-85 -126.35 105.73 9.0 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.163 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.442 ' O ' HG12 ' A' ' 64' ' ' ILE . 3.3 mp -122.24 140.19 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.699 -178.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.651 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -74.96 147.05 41.19 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.828 178.828 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.38 -18.0 24.96 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.705 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -67.06 -65.03 0.73 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.07 -178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -118.48 3.92 11.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 59.8 mttp 68.93 33.53 3.49 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.971 -177.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -66.92 130.35 42.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.196 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.8 tp -81.17 105.33 10.95 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 121.281 0.562 . . . . 0.0 110.581 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.2 mp -67.25 -51.25 55.12 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.4 ' HB1' ' NE2' ' A' ' 87' ' ' HIS . . . -170.66 151.79 3.63 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.145 0.498 . . . . 0.0 112.082 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.421 ' HG3' ' HG3' ' A' ' 74' ' ' LYS . 34.4 tt0 -134.89 115.59 13.78 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.4 ' NE2' ' HB1' ' A' ' 85' ' ' ALA . 84.6 m-70 -137.6 166.43 23.94 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.915 0.388 . . . . 0.0 110.5 -177.53 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.492 ' HB3' ' OD1' ' A' ' 91' ' ' ASN . 43.4 tt0 -81.13 149.51 29.12 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 173.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.547 ' O ' HD13 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -58.63 -32.43 46.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-O 121.222 0.534 . . . . 0.0 110.139 -177.783 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.458 ' H ' ' HG2' ' A' ' 88' ' ' GLU . 35.1 ttm105 -62.59 -21.76 65.86 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.456 178.095 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.492 ' OD1' ' HB3' ' A' ' 88' ' ' GLU . 16.1 m120 -73.96 -12.67 60.71 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.715 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.482 HD11 HG11 ' A' ' 73' ' ' VAL . 29.3 mt -85.39 102.03 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.3 t -69.73 -34.1 73.39 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.652 -175.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.7 t -153.37 135.93 15.15 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.113 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.07 118.03 31.74 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.89 -174.02 3.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 21.1 pt20 -147.18 173.79 12.2 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.644 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 15.4 t70 -69.08 138.36 89.81 Favored Pre-proline 0 C--N 1.326 -0.439 0 C-N-CA 121.001 -0.279 . . . . 0.0 110.821 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 31.1 Cg_exo -60.74 -30.02 89.47 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 123.065 2.51 . . . . 0.0 114.372 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -113.66 -33.87 5.7 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -176.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.644 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 16.9 t70 -110.0 109.99 20.76 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.243 0.544 . . . . 0.0 110.651 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.37 15.79 4.16 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.057 -176.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t -99.75 1.49 43.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.983 0.421 . . . . 0.0 110.109 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.487 HG23 ' HB2' ' A' ' 98' ' ' ASP . 8.8 t -132.73 132.47 42.34 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.34 0.59 . . . . 0.0 110.588 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.419 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 42.2 p90 -114.16 149.86 35.04 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.913 -177.165 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 121' ' ' VAL . . . -138.09 123.76 19.81 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.859 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 55.0 p90 -121.11 143.19 49.22 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 121.151 0.501 . . . . 0.0 111.156 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.459 HG21 ' CE1' ' A' ' 117' ' ' HIS . 30.7 mt -98.05 124.63 51.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.042 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.96 152.6 27.88 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.879 -173.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -137.15 119.09 15.27 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.464 ' OD1' ' HD3' ' A' ' 113' ' ' LYS . 7.2 t70 -149.96 175.65 11.49 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -175.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -23.51 63.85 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.991 0.424 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.527 ' HD3' ' H ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -109.86 18.36 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.718 0.77 . . . . 0.0 109.462 174.714 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.7 m -149.68 54.69 0.95 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.912 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -68.43 -27.28 66.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.879 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.506 ' HB2' HD11 ' A' ' 30' ' ' LEU . 79.6 m-70 -90.9 174.6 7.35 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.702 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.459 ' CE1' HG21 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -74.17 92.15 2.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.905 0.383 . . . . 0.0 111.696 -176.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.425 ' CE1' HD13 ' A' ' 30' ' ' LEU . 11.2 m-85 -87.38 118.56 26.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.79 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.562 ' SG ' ' HA ' ' A' ' 40' ' ' THR . 45.1 t -103.38 105.12 15.31 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 50.4 m80 -104.92 112.6 25.78 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.649 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.409 ' HA ' ' HA ' ' A' ' 106' ' ' ALA . 3.8 p -116.37 127.46 73.97 Favored 'Isoleucine or valine' 0 C--O 1.248 1.008 0 CA-C-O 121.345 0.593 . . . . 0.0 111.3 -178.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 27.5 m-85 -125.71 135.07 51.69 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.823 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.434 ' OG1' HD13 ' A' ' 26' ' ' LEU . 86.1 m -95.76 121.52 37.57 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.617 -177.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' A' ' 130' ' ' ALA . . . -87.51 148.03 25.1 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -72.06 -33.31 67.85 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.479 ' HB2' ' HB2' ' A' ' 129' ' ' LEU . 16.4 m-20 -113.99 134.82 54.59 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.261 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.48 -37.52 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.337 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -70.55 -31.02 67.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.123 0.487 . . . . 0.0 109.856 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 126' ' ' ASP . 7.2 tt -67.65 -41.85 83.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.056 177.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.425 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . . . -61.36 -45.12 95.72 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.033 177.161 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.63 -38.69 85.61 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.795 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.16 -46.53 88.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.187 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 63.0 mt -60.35 -44.21 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.634 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.82 -42.25 91.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 110.455 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.3 tt -65.25 -44.46 88.06 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.411 HG21 ' SG ' ' A' ' 19' ' ' CYS . 25.6 m -61.09 -51.17 70.28 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.471 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.464 HD23 HG21 ' A' ' 68' ' ' VAL . 92.3 mt -55.98 -48.87 75.05 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.925 0.393 . . . . 0.0 110.681 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.78 -49.14 80.79 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.847 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -68.94 -35.39 76.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.938 0.399 . . . . 0.0 111.161 -178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 143' ' ' VAL . . . -68.2 -33.37 74.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.174 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -82.37 -37.69 25.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.254 0.55 . . . . 0.0 109.999 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.13 -35.62 81.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.327 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 140' ' ' ALA . 9.9 p -67.64 -16.04 20.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-O 120.96 0.41 . . . . 0.0 111.477 -178.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.4 0 CA-C-O 121.26 0.552 . . . . 0.0 110.253 178.461 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.445 -0.681 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.8 m -98.65 98.03 9.23 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.5 97.55 11.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -97.46 173.1 7.34 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.915 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -134.37 129.43 35.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.791 0.329 . . . . 0.0 110.29 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -138.28 176.06 9.03 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.713 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -99.89 122.93 43.57 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 178.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.05 92.71 2.17 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.483 ' HB3' HG13 ' A' ' 121' ' ' VAL . 38.2 tp -66.18 -51.98 52.62 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.856 -178.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.407 ' O ' HG12 ' A' ' 121' ' ' VAL . . . 173.34 148.37 6.34 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 118.905 -1.617 . . . . 0.0 114.266 176.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 p -98.5 89.89 4.57 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 174.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.1 tpp -90.09 140.71 29.39 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.384 -173.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.44 HD13 ' CE1' ' A' ' 118' ' ' TYR . 20.6 tp -93.87 127.99 39.91 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.742 -177.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.547 HD11 ' SG ' ' A' ' 119' ' ' CYS . 27.5 mm -104.37 122.79 57.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.039 -177.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -66.75 -26.94 67.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.417 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.451 ' H ' HG22 ' A' ' 31' ' ' ILE . 9.6 pt-20 -140.48 106.37 5.17 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.196 0.522 . . . . 0.0 110.522 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.521 HD13 ' H ' ' A' ' 36' ' ' GLY . 0.6 OUTLIER -74.9 95.12 2.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.313 0.577 . . . . 0.0 109.755 -178.37 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.451 ' HD2' ' OE1' ' A' ' 33' ' ' GLU . 29.9 mtp180 -100.69 36.58 1.89 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.527 -177.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.521 ' H ' HD13 ' A' ' 34' ' ' LEU . . . 75.82 -142.47 28.77 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.468 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.6 p -70.41 -16.6 62.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.294 0.569 . . . . 0.0 110.952 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -56.92 -42.59 80.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.589 176.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.455 ' HB3' HG21 ' A' ' 31' ' ' ILE . 1.1 m -60.05 -50.42 73.78 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.292 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.8 p -63.94 -39.74 94.84 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.151 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -67.95 -40.5 83.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.449 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 46' ' ' LYS . 26.9 t70 -62.13 -49.89 74.08 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.118 0.485 . . . . 0.0 110.018 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.06 85.4 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.588 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 33.7 t -59.94 -55.2 37.08 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.904 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.02 -41.65 83.63 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.922 0.391 . . . . 0.0 110.967 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 15.4 ttmm -57.66 -59.22 5.52 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.644 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 46.5 mtm -66.4 -37.11 84.5 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.716 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.6 ttt-85 -57.71 -49.26 77.13 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.24 -42.71 96.42 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.863 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -66.94 -33.22 75.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.687 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.688 -177.882 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.713 HG23 ' HB1' ' A' ' 24' ' ' ALA . 28.0 m . . . . . 0 N--CA 1.442 -0.832 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -53.32 139.89 63.43 Favored 'Trans proline' 0 C--O 1.239 0.552 0 C-N-CA 123.164 2.576 . . . . 0.0 113.508 -177.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.7 m -76.29 140.58 41.58 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.504 178.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.8 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -131.9 139.0 51.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.148 -177.015 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 65' ' ' ILE . 3.6 mp -86.1 111.92 21.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.305 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.3 mt -95.98 97.68 9.8 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.482 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.3 t -100.47 119.69 38.86 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-O 121.24 0.543 . . . . 0.0 110.651 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 p -117.35 131.39 70.22 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.755 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.9 p -142.39 176.78 8.74 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.544 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.62 113.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HA ' ' CG2' ' A' ' 89' ' ' ILE . 0.0 OUTLIER 51.6 21.92 1.44 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.663 1.185 . . . . 0.0 113.641 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -149.14 136.38 5.78 Favored Glycine 0 CA--C 1.512 -0.148 0 C-N-CA 120.035 -1.079 . . . . 0.0 112.741 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.7 m -138.96 137.74 42.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-O 121.217 0.532 . . . . 0.0 111.1 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.504 ' CD ' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -139.16 142.36 37.98 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.112 0.482 . . . . 0.0 110.975 178.336 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.8 ' HB3' HD11 ' A' ' 64' ' ' ILE . 18.8 m-85 -129.4 120.45 25.54 Favored 'General case' 0 C--O 1.25 1.122 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.594 -173.464 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.504 HD11 ' CD ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER -125.0 144.19 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.568 -179.025 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.593 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 1.2 t70 -73.18 144.71 46.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.236 176.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.74 -13.13 29.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.79 0.328 . . . . 0.0 111.871 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 m -70.62 -58.89 3.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.898 0.38 . . . . 0.0 111.069 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -126.01 7.82 7.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.625 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 61.9 tttm 64.33 55.75 1.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.679 0.752 . . . . 0.0 110.282 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.422 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 28.2 t-20 -84.8 130.22 34.7 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.443 179.096 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.6 mt -72.48 93.5 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 177.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.9 mt -76.09 -58.37 4.61 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.986 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.1 139.89 11.32 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.87 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -145.71 109.91 4.95 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.866 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -147.28 171.64 15.1 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 -177.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -67.08 159.66 28.32 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.422 ' CG2' ' HA ' ' A' ' 71' ' ' LYS . 12.5 tt -65.35 -19.24 25.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.582 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -63.73 -17.53 63.11 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.294 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -68.25 -26.16 65.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.04 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.0 mt -91.93 117.44 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.718 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.6 t -92.46 -25.41 18.45 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.833 -177.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 25.9 t -152.04 150.48 30.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.923 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -139.07 115.8 10.73 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.29 150.83 51.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.018 0.437 . . . . 0.0 111.059 -178.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -115.46 159.51 21.09 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.521 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 10.1 t70 -71.97 124.45 90.89 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.897 0.379 . . . . 0.0 111.815 -176.105 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 23.2 Cg_exo -65.87 -34.71 38.4 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.954 2.436 . . . . 0.0 113.745 -178.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.483 ' HG2' ' OD1' ' A' ' 98' ' ' ASP . 11.0 pt-20 -94.07 -17.57 22.71 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.848 0.356 . . . . 0.0 111.64 -176.087 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.521 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 8.3 t70 -133.55 107.33 7.94 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.218 0.533 . . . . 0.0 110.161 177.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.12 7.59 6.01 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.335 -176.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.1 t -110.88 14.07 22.14 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.021 -178.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.409 HG23 ' CB ' ' A' ' 98' ' ' ASP . 5.9 t -145.43 156.75 43.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.827 0.346 . . . . 0.0 110.633 178.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -154.82 171.61 19.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.61 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -155.32 129.7 9.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.701 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -115.71 157.75 23.82 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.162 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 63.3 mt -113.7 125.85 71.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.626 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.89 152.12 22.32 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.744 177.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.421 ' O ' ' HD3' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -103.34 93.13 4.8 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.54 0.685 . . . . 0.0 111.949 -179.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.585 ' OD2' ' HB2' ' A' ' 114' ' ' SER . 8.0 p-10 -84.93 81.98 8.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.195 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.7 tp -70.84 -5.39 30.07 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.153 0.501 . . . . 0.0 110.593 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -93.29 -8.22 42.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.18 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.585 ' HB2' ' OD2' ' A' ' 111' ' ' ASP . 45.0 m -128.0 -32.16 2.32 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.329 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 16.6 m120 74.06 15.68 3.69 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 175.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -130.1 98.19 4.67 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 176.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.473 ' HA ' ' OD1' ' A' ' 111' ' ' ASP . 67.8 m-70 -63.79 130.88 45.99 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -171.304 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.44 ' CE1' HD13 ' A' ' 30' ' ' LEU . 83.8 m-85 -94.21 150.53 20.22 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.321 -1.309 . . . . 0.0 110.513 177.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.547 ' SG ' HD11 ' A' ' 31' ' ' ILE . 26.6 p -117.46 113.25 21.77 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 171.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -94.99 104.5 16.37 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -176.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.483 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.3 p -99.1 131.69 45.88 Favored 'Isoleucine or valine' 0 C--O 1.254 1.313 0 CA-C-O 121.3 0.571 . . . . 0.0 111.146 -178.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -132.96 133.41 43.15 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.714 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.6 t -107.76 135.44 49.17 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 130' ' ' ALA . . . -100.4 151.87 21.02 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.406 -178.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -86.01 11.67 11.09 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.473 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -156.82 135.89 11.91 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.78 -53.12 45.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.634 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -61.77 -39.64 92.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.653 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.523 ' O ' HG13 ' A' ' 133' ' ' ILE . 2.8 tm? -58.03 -48.52 79.82 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.733 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.457 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . . . -61.47 -43.96 97.94 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 178.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.98 94.12 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.786 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -60.02 -42.99 95.53 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.107 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 129' ' ' LEU . 64.4 mt -56.83 -54.37 30.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.575 178.307 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 40.9 mm -59.3 -45.57 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.3 tt -60.29 -45.61 92.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.803 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.2 m -65.48 -41.79 92.93 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.454 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.03 -49.01 79.12 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.253 177.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.18 -44.23 97.6 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.284 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -61.35 -50.45 72.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.911 0.386 . . . . 0.0 110.427 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.02 98.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.177 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -70.18 -25.74 63.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.619 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -76.6 -53.64 7.77 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.551 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 12.8 p -66.51 -27.68 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.412 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.7 0.286 . . . . 0.0 111.477 179.773 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 120.894 0.378 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.535 ' HD3' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -91.57 -42.66 10.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.837 177.715 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.3 mt 52.68 44.74 29.82 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.676 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.2 mt -55.92 -29.26 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.519 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.91 4.21 10.98 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.167 0.508 . . . . 0.0 110.622 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -112.52 -3.68 14.35 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.391 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.8 p -145.67 159.06 43.7 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.216 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.591 ' SG ' HG13 ' A' ' 68' ' ' VAL . 30.2 p -124.58 140.96 52.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.91 0.386 . . . . 0.0 110.34 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -124.93 116.93 22.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.872 -177.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -132.23 166.51 21.7 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.062 0.458 . . . . 0.0 111.684 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -101.08 108.52 20.24 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.58 177.96 4.7 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.74 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -123.38 123.64 41.14 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 176.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.436 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -72.71 102.53 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.649 0.261 . . . . 0.0 110.373 -176.555 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.413 ' HA ' HG21 ' A' ' 61' ' ' VAL . 31.1 tp -78.32 -58.93 3.0 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.415 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.46 155.09 21.64 Favored Glycine 0 N--CA 1.438 -1.206 0 C-N-CA 119.031 -1.557 . . . . 0.0 113.937 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.421 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 8.7 p -110.35 95.8 5.8 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 175.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 tpp -88.25 127.53 35.46 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.021 0.439 . . . . 0.0 111.939 -174.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.425 HD23 ' CE1' ' A' ' 118' ' ' TYR . 3.1 tm? -81.86 123.69 29.04 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.586 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.8 mm -108.73 127.52 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.53 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -67.57 -60.77 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.5 127.62 53.21 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.631 HD13 ' H ' ' A' ' 36' ' ' GLY . 2.8 tm? -77.98 110.94 13.34 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.52 -176.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.458 ' HD3' ' OE2' ' A' ' 38' ' ' GLU . 30.9 mtp180 -107.2 28.33 8.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.241 0.543 . . . . 0.0 110.642 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.631 ' H ' HD13 ' A' ' 34' ' ' LEU . . . 87.88 -144.18 18.66 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.816 177.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.3 p -69.69 -12.46 61.65 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 122.613 0.365 . . . . 0.0 111.618 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.458 ' OE2' ' HD3' ' A' ' 35' ' ' ARG . 36.2 tt0 -60.35 -43.51 96.43 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -62.8 -41.64 99.37 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.058 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.9 p -70.44 -41.78 72.41 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.766 0.317 . . . . 0.0 111.217 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -65.4 -42.52 92.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.781 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.69 -49.4 76.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.548 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.6 -46.72 89.21 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.897 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 42.0 t -60.83 -60.32 3.98 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.57 -50.74 71.03 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -59.52 -51.51 69.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.222 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.442 ' HE1' ' CG1' ' A' ' 121' ' ' VAL . 20.6 ttp -70.92 -40.78 71.89 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -176.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 44' ' ' CYS . 16.6 ptm180 -63.41 -36.73 84.7 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.77 -29.88 58.93 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 121.057 0.456 . . . . 0.0 110.291 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -77.16 -20.77 55.03 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.203 0.525 . . . . 0.0 110.367 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.6 t -79.48 -11.52 59.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.406 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -137.32 178.93 6.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.883 0.373 . . . . 0.0 111.696 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -129.38 -123.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.4 t -86.3 10.18 15.61 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -81.51 177.61 8.84 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.399 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HB3' ' H ' ' A' ' 57' ' ' GLN . 11.6 mp0 -83.05 -157.63 0.24 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.415 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.422 ' H ' ' HB3' ' A' ' 56' ' ' GLU . 21.4 pt20 -66.92 80.23 0.11 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.608 0.718 . . . . 0.0 111.275 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.1 ttp -94.25 25.84 3.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.972 0.891 . . . . 0.0 109.571 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' A' ' 59' ' ' LYS . 35.7 ttpt -79.75 79.51 6.25 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.506 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -133.4 118.0 17.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.74 HG23 ' HB1' ' A' ' 24' ' ' ALA . 2.8 m -131.61 164.02 45.66 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.554 -177.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 4.0 Cg_endo -46.26 137.74 13.87 Favored 'Trans proline' 0 C--N 1.366 1.498 0 C-N-CA 124.018 3.145 . . . . 0.0 113.568 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.0 m -79.74 135.22 36.46 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.969 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -134.0 133.97 55.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 C-N-CA 123.857 0.863 . . . . 0.0 108.887 179.363 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.8 mt -77.58 107.43 9.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-O 121.318 0.58 . . . . 0.0 110.003 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.71 103.48 15.99 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.01 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.415 ' HB3' ' HG2' ' A' ' 74' ' ' LYS . 1.9 t -111.51 116.6 31.14 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 121.28 0.562 . . . . 0.0 110.012 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.591 HG13 ' SG ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -119.75 129.03 75.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.8 -177.492 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.5 t -131.61 160.55 35.02 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.637 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.82 -11.32 60.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.139 0.495 . . . . 0.0 110.903 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -101.29 -11.07 19.75 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.706 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.443 ' HA2' ' N ' ' A' ' 89' ' ' ILE . . . 159.59 162.01 11.78 Favored Glycine 0 CA--C 1.5 -0.848 0 C-N-CA 119.746 -1.216 . . . . 0.0 112.684 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.4 HG22 HG23 ' A' ' 68' ' ' VAL . 60.3 t -119.76 133.2 67.29 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.132 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.415 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -127.1 137.17 52.95 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 121.493 0.663 . . . . 0.0 111.694 -178.405 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.488 ' O ' ' HB ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -114.17 115.71 27.91 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.229 -178.605 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.47 ' O ' HG12 ' A' ' 64' ' ' ILE . 4.4 mp -122.57 138.64 52.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.554 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 20.3 t70 -70.08 140.99 52.84 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.83 -20.76 28.66 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.0 m -89.34 -54.56 4.04 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 120.87 0.366 . . . . 0.0 111.593 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -103.58 8.23 37.62 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.554 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 14.0 ptmm? 49.78 27.06 2.11 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.906 0.882 . . . . 0.0 111.251 -177.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.439 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 50.8 t-20 -61.23 124.67 21.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.519 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.401 HG23 ' O ' ' A' ' 83' ' ' ILE . 7.3 tp -75.7 82.52 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-O 121.913 0.863 . . . . 0.0 109.301 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.488 ' HB ' ' O ' ' A' ' 75' ' ' PHE . 67.8 mt -56.72 -58.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.07 -177.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -174.12 145.54 1.07 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -121.75 108.11 13.13 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 174.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -120.21 144.22 47.84 Favored 'General case' 0 C--N 1.308 -1.202 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.145 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -59.87 144.96 47.38 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.944 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.458 ' O ' HD13 ' A' ' 89' ' ' ILE . 0.3 OUTLIER -63.48 -24.1 35.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.451 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -67.99 -12.89 61.63 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.028 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -89.76 -14.69 34.04 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.295 0.569 . . . . 0.0 110.135 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.417 ' HA ' HG22 ' A' ' 109' ' ' THR . 25.5 mt -85.58 132.61 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.3 t -98.6 -43.47 6.83 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.665 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.46 ' HB2' HG12 ' A' ' 108' ' ' ILE . 50.5 m -152.78 155.21 36.72 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.368 -178.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.11 116.17 15.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.398 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -123.1 179.1 4.8 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.613 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -145.34 170.32 16.54 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.533 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 11.2 t70 -70.08 134.84 87.33 Favored Pre-proline 0 C--N 1.319 -0.738 0 O-C-N 123.144 0.278 . . . . 0.0 110.283 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.28 -34.1 87.19 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.318 2.678 . . . . 0.0 114.044 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -114.22 -21.98 10.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.533 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 9.9 t70 -109.23 95.98 5.99 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.9 11.77 3.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.383 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.5 t -107.11 8.05 29.98 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-O 121.752 0.787 . . . . 0.0 108.903 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.1 m -127.17 120.64 29.28 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.864 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 122' ' ' PHE . 36.4 p90 -118.36 141.04 48.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.949 0.404 . . . . 0.0 111.523 -177.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -137.07 116.2 12.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.275 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -116.98 151.55 36.47 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 121.042 0.449 . . . . 0.0 111.492 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.46 HG12 ' HB2' ' A' ' 94' ' ' CYS . 0.0 OUTLIER -107.52 133.94 50.76 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.95 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.935 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.417 HG22 ' HA ' ' A' ' 92' ' ' ILE . 6.0 p -118.96 165.59 13.9 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.6 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -101.42 85.79 2.85 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 173.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.54 94.75 1.73 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.723 -177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.6 mt -58.16 -36.77 73.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.297 -1.319 . . . . 0.0 113.05 -174.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -75.82 -15.25 60.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.943 0.402 . . . . 0.0 111.442 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.1 m -103.72 -19.32 14.35 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.573 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 61.47 23.24 13.53 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.62 0.724 . . . . 0.0 109.942 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -140.05 -169.48 2.75 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.707 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -127.14 123.64 37.25 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.184 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.425 ' CE1' HD23 ' A' ' 30' ' ' LEU . 34.7 m-85 -100.81 126.74 47.41 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.705 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 90.4 m -83.28 102.75 12.16 Favored 'General case' 0 N--CA 1.433 -1.323 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -89.29 104.64 17.17 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.442 ' CG1' ' HE1' ' A' ' 47' ' ' MET . 3.3 p -112.93 128.85 69.45 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.415 -177.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 43.4 m-85 -126.67 148.39 49.84 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.446 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 66.6 p -104.86 123.51 47.83 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.39 168.72 16.32 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.239 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -102.26 11.62 37.9 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -162.6 140.43 8.35 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.425 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.84 -51.69 63.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.561 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -58.5 -40.07 81.8 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.961 0.41 . . . . 0.0 110.089 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.7 tt -56.53 -53.0 62.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.025 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.47 -46.76 87.02 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.22 83.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.999 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -64.03 -44.53 92.27 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.008 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.0 mt -58.43 -46.78 89.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.37 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.505 HD11 ' HB2' ' A' ' 105' ' ' PHE . 31.4 mm -55.73 -48.41 77.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.058 0.456 . . . . 0.0 110.482 177.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.74 -43.83 92.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.621 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.4 m -63.16 -41.51 99.26 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.372 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 85.8 mt -63.8 -50.29 69.53 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.016 0.436 . . . . 0.0 110.379 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.2 -46.3 94.5 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.317 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -61.76 -42.96 99.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 0.0 110.61 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.43 -47.61 84.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.993 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -67.1 -36.86 82.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.595 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.67 -47.92 76.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.5 p -72.06 -26.4 25.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.266 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -83.17 -19.65 36.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.043 0.449 . . . . 0.0 110.589 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -65.83 -45.5 82.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.42 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 . . . . . 0 C--N 1.321 -0.658 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.036 179.059 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.705 0.288 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.51 166.84 17.21 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.795 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mp -83.84 122.47 28.73 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.479 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.4 pt -66.64 -2.81 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-O 120.998 0.428 . . . . 0.0 112.055 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.83 -28.61 20.3 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -98.03 -12.97 21.33 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.498 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.5 p -123.45 139.05 54.42 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.902 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.7 t -115.71 108.52 16.47 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -92.66 104.85 17.09 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.618 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -112.79 172.34 6.99 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.394 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -116.84 112.6 21.33 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.02 177.6 4.76 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.538 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -117.44 131.13 56.8 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.443 178.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -72.86 98.4 2.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.388 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.4 tp -78.4 -62.19 1.76 Allowed 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.21 152.78 12.48 Favored Glycine 0 N--CA 1.439 -1.144 0 C-N-CA 118.782 -1.675 . . . . 0.0 114.14 176.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p -104.11 112.54 25.58 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 173.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.2 tpp -104.64 139.24 39.78 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -173.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -82.36 116.9 22.05 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.6 mm -96.39 114.6 33.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-O 121.103 0.477 . . . . 0.0 111.245 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -90.36 -50.08 6.17 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 14.8 mp0 -93.08 97.86 10.96 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.353 178.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 34' ' ' LEU . 1.9 tm? -78.41 98.06 5.88 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 2.3 ptm85 -122.87 36.52 4.63 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.958 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.59 -131.56 31.94 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.052 -0.976 . . . . 0.0 113.27 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.408 HG22 ' HB2' ' A' ' 96' ' ' ALA . 32.5 p -67.54 -12.97 61.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.95 0.405 . . . . 0.0 111.741 -178.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' HB3' ' HG3' ' A' ' 35' ' ' ARG . 1.1 tm-20 -71.57 -36.95 71.07 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.4 m -65.88 -43.09 89.36 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.111 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.5 HG22 ' SG ' ' A' ' 119' ' ' CYS . 24.1 p -66.13 -36.25 82.64 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.255 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -66.88 -42.57 85.36 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.839 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.41 -49.86 76.17 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.812 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.68 -49.27 73.82 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.35 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.4 t -61.1 -48.55 81.14 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.839 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.485 ' O ' ' HG2' ' A' ' 48' ' ' ARG . . . -60.03 -44.77 94.41 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 120.929 0.395 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -56.1 -51.73 66.86 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.969 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 61.7 mtm -79.53 -31.33 42.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 28.1 ptt180 -63.29 -28.4 69.99 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.32 -39.97 14.88 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.573 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.454 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 61.9 t30 -67.41 -36.16 80.73 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -177.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.5 p -57.67 -45.3 85.73 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.863 0.364 . . . . 0.0 111.406 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.408 ' HG2' ' H ' ' A' ' 52' ' ' GLN . 12.4 pt20 -81.89 -6.56 59.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.292 0.568 . . . . 0.0 111.345 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.454 ' HB3' ' HA ' ' A' ' 50' ' ' ASN . 16.2 tttm -89.95 -45.11 9.43 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.99 177.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 t -110.75 47.12 1.0 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.327 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 m -69.96 -17.51 63.31 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.381 0.61 . . . . 0.0 110.333 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -62.41 -47.17 85.31 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 175.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -72.36 -56.52 5.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.742 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 28.5 ttp -70.59 107.28 3.82 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.918 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -50.83 24.24 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 174.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt 178.46 137.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.299 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.538 HG23 ' HB1' ' A' ' 24' ' ' ALA . 9.5 m -63.41 132.87 95.28 Favored Pre-proline 0 C--N 1.317 -0.847 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 61' ' ' VAL . 35.1 Cg_exo -60.54 149.8 84.95 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.064 2.509 . . . . 0.0 113.007 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.9 m -85.06 135.38 34.03 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.677 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.654 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.9 OUTLIER -123.7 133.03 70.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.782 178.681 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.1 mt -79.22 106.55 10.43 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 CA-C-O 121.468 0.651 . . . . 0.0 109.283 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.42 94.19 9.78 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.571 -178.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.425 ' OG ' ' HB2' ' A' ' 74' ' ' LYS . 13.2 p -96.21 94.6 7.59 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.271 0.558 . . . . 0.0 110.267 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.9 p -96.31 122.46 47.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.318 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.8 t -132.85 151.46 52.02 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.165 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.45 -19.62 66.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.414 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -98.58 0.37 44.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.233 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.51 144.84 4.01 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.837 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.4 t -110.67 122.75 65.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 121.252 0.548 . . . . 0.0 110.897 -178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.425 ' HB2' ' OG ' ' A' ' 67' ' ' SER . 3.8 mptp? -108.54 133.62 52.43 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.873 -178.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.654 ' HB3' HD11 ' A' ' 64' ' ' ILE . 25.7 m-85 -116.3 101.44 8.68 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.255 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.3 mt -114.55 139.76 38.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.381 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.678 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 3.4 t70 -74.99 144.29 43.2 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.365 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.15 -12.87 22.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 m -69.61 -54.75 12.49 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -123.5 3.78 9.02 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.382 0.611 . . . . 0.0 109.944 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.678 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 3.9 ttmp? 64.56 29.16 13.24 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.028 -178.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -77.45 140.66 39.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.861 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.6 tp -75.1 112.7 12.94 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-O 121.183 0.516 . . . . 0.0 110.654 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.404 HD11 ' HB2' ' A' ' 77' ' ' ASP . 48.7 mm -71.66 -55.82 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -179.48 161.15 1.03 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.678 -1.146 . . . . 0.0 109.798 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -141.48 119.39 11.9 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -116.78 141.53 48.09 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.796 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -71.65 146.78 48.06 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 173.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.9 tp -54.27 -33.16 24.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 120.859 0.361 . . . . 0.0 111.525 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -63.12 -25.82 68.54 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.2 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -81.68 -21.69 37.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.916 0.389 . . . . 0.0 110.712 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.523 ' HA ' HG22 ' A' ' 109' ' ' THR . 41.5 mt -79.66 113.45 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.1 m -90.34 -38.67 13.2 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.866 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 30.3 t -138.68 151.48 47.22 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.874 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.7 101.81 4.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.401 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.408 ' HB2' HG22 ' A' ' 37' ' ' THR . . . -114.89 -175.49 2.7 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 120.969 0.414 . . . . 0.0 111.117 -177.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.457 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 4.8 pm0 -153.35 171.64 18.29 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.577 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 12.3 t70 -71.73 133.29 84.56 Favored Pre-proline 0 C--N 1.318 -0.773 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.533 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 39.7 Cg_exo -59.38 -36.29 94.48 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.157 2.572 . . . . 0.0 113.528 -179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -103.71 -26.17 12.85 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.976 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.577 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 15.3 t70 -113.49 104.64 12.47 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.179 0.514 . . . . 0.0 110.68 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.07 15.85 2.63 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.44 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.9 t -105.64 -0.47 25.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.914 0.387 . . . . 0.0 110.349 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.438 HG23 ' HB2' ' A' ' 98' ' ' ASP . 5.0 t -130.87 134.65 46.98 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 121.23 0.538 . . . . 0.0 110.773 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 41.0 p90 -122.17 150.94 41.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.137 -176.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.02 114.9 9.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.34 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 38.2 p90 -107.38 159.27 16.52 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 120.907 0.384 . . . . 0.0 111.191 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.6 mt -116.67 122.2 69.38 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.5 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 92' ' ' ILE . 7.9 p -128.15 174.96 8.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.984 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -148.93 116.57 6.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.037 0.446 . . . . 0.0 111.324 178.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.52 ' HB2' ' OG ' ' A' ' 114' ' ' SER . 3.7 m-20 -86.06 170.18 12.47 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.796 176.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.2 tp -68.92 -21.84 64.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.87 0.367 . . . . 0.0 111.164 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -102.19 10.7 39.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.123 0.487 . . . . 0.0 110.391 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.52 ' OG ' ' HB2' ' A' ' 111' ' ' ASP . 25.6 m -103.22 78.53 1.64 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.233 -177.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -58.99 -37.68 77.42 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 175.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -98.09 147.13 24.86 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.608 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -76.85 143.57 39.61 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 120.726 0.298 . . . . 0.0 111.05 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -108.39 115.79 30.77 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.968 0.413 . . . . 0.0 110.798 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.5 ' SG ' HG22 ' A' ' 40' ' ' THR . 52.6 t -86.6 118.71 26.19 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 72.6 m80 -106.18 106.54 17.1 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.862 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.1 p -109.98 130.09 63.76 Favored 'Isoleucine or valine' 0 C--O 1.255 1.387 0 CA-C-O 121.225 0.536 . . . . 0.0 111.04 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 77.6 m-85 -128.81 138.58 52.14 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.023 -178.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.413 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 36.0 p -95.61 121.27 37.13 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.179 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.5 ' HB1' HD22 ' A' ' 129' ' ' LEU . . . -85.05 154.06 22.32 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -84.32 -4.17 58.7 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.04 0.448 . . . . 0.0 110.513 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.401 ' HB3' ' HB2' ' A' ' 129' ' ' LEU . 13.8 t70 -146.02 137.11 24.59 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.841 -178.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.7 -54.72 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.868 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.67 -32.94 72.12 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.038 0.447 . . . . 0.0 110.632 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.5 HD22 ' HB1' ' A' ' 124' ' ' ALA . 9.4 tt -59.92 -51.71 68.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.527 177.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.72 -39.51 94.28 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.75 90.9 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.124 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.74 -35.4 80.02 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.601 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 129' ' ' LEU . 64.6 mt -56.79 -46.73 83.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 49.2 mm -61.31 -45.06 99.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.413 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.1 -43.43 98.86 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.602 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 27.1 m -63.85 -39.26 93.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.324 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.11 -43.69 94.53 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.961 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.75 -50.0 71.82 Favored Glycine 0 C--O 1.245 0.812 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -58.37 -42.45 87.01 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.453 ' HA ' HG12 ' A' ' 143' ' ' VAL . . . -61.24 -42.94 99.49 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -58.33 -50.25 74.31 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.716 0.293 . . . . 0.0 111.119 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.597 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 11.8 pt-20 -72.91 -44.59 61.05 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -177.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' A' ' 140' ' ' ALA . 9.7 p -63.16 -32.81 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 120.748 0.308 . . . . 0.0 111.606 -177.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -74.39 -21.38 59.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.03 0.443 . . . . 0.0 110.551 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -91.41 -19.0 23.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.84 -178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLN . . . . . 0.597 ' HG3' ' O ' ' A' ' 142' ' ' GLU . 97.3 mt-30 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.726 -0.654 . . . . 0.0 110.241 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 120.688 0.28 . . . . 0.0 110.374 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' CB ' ' HG3' ' A' ' 17' ' ' GLN . 0.7 OUTLIER -91.22 137.58 32.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.955 0.407 . . . . 0.0 110.825 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.535 ' HG ' ' H ' ' A' ' 15' ' ' ILE . 1.4 pt? -127.02 -61.8 1.15 Allowed 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.213 177.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.535 ' H ' ' HG ' ' A' ' 14' ' ' LEU . 11.9 tt -72.54 -19.46 19.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 121.28 0.562 . . . . 0.0 110.519 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.15 -29.54 24.7 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.423 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' HG3' ' CB ' ' A' ' 13' ' ' LYS . 36.7 mt-30 -89.67 -18.88 25.6 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.535 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.5 p -75.92 105.82 7.16 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.166 0.508 . . . . 0.0 109.893 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.5 m -109.86 134.27 52.24 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.152 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -116.12 115.42 26.03 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.407 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -125.05 134.2 52.63 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.407 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -90.94 120.24 31.78 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.039 0.447 . . . . 0.0 110.872 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.8 165.91 15.83 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.524 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -103.15 125.93 50.08 Favored 'General case' 0 C--N 1.308 -1.226 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.128 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.479 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.6 OUTLIER -71.55 93.51 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.361 -177.778 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.557 ' HG ' ' HE3' ' A' ' 47' ' ' MET . 38.0 tp -72.43 -59.78 2.56 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.366 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -174.43 171.53 44.64 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 119.599 -1.286 . . . . 0.0 112.983 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.5 p -131.4 102.12 5.82 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.435 ' SD ' ' HB1' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -84.86 156.16 21.41 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.946 0.403 . . . . 0.0 110.617 -179.045 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.487 HD13 ' CE1' ' A' ' 118' ' ' TYR . 18.6 tp -107.52 110.63 22.59 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 mm -116.3 118.53 59.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.668 -173.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.596 ' HD3' ' H ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -94.58 -38.51 10.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.2 177.045 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -94.52 55.6 1.98 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.834 177.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.628 HD23 ' H ' ' A' ' 34' ' ' LEU . 1.6 pt? -69.35 132.34 46.25 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.567 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.476 ' HB2' ' HB3' ' A' ' 38' ' ' GLU . 30.9 mtm-85 -123.08 37.06 4.51 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.388 0.613 . . . . 0.0 109.839 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.11 -124.64 6.63 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.678 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.439 HG22 ' HB2' ' A' ' 96' ' ' ALA . 30.1 p -67.44 -14.16 62.68 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.382 0.61 . . . . 0.0 111.498 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 35' ' ' ARG . 4.9 tp10 -65.02 -45.27 86.19 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.718 177.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.453 ' OG ' ' HA ' ' A' ' 34' ' ' LEU . 14.2 m -67.56 -40.18 84.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.218 -177.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.42 ' HB ' ' HB3' ' A' ' 106' ' ' ALA . 25.1 p -65.26 -44.89 86.65 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.454 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -67.29 -39.98 86.02 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.304 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -56.66 -57.14 13.68 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.815 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.435 ' HB1' ' SD ' ' A' ' 29' ' ' MET . . . -63.33 -41.45 98.89 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.0 t -56.05 -62.45 1.69 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.14 86.18 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.655 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -55.62 -56.65 17.9 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.632 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.557 ' HE3' ' HG ' ' A' ' 26' ' ' LEU . 58.9 mtm -77.62 -25.18 49.58 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.511 -0.475 . . . . 0.0 111.974 -179.035 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -64.32 -30.83 71.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.265 0.555 . . . . 0.0 109.696 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.75 -27.61 21.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.469 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.401 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 63.5 t30 -76.13 -37.36 58.12 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.136 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.7 p -60.32 -39.94 88.82 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.847 0.356 . . . . 0.0 111.33 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -80.23 86.07 5.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.701 0.762 . . . . 0.0 109.7 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.401 ' HE2' ' O ' ' A' ' 50' ' ' ASN . 13.3 tppt? -115.38 154.56 28.98 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.616 -176.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.4 p -66.89 -24.09 66.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.187 0.517 . . . . 0.0 110.003 177.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.5 m -75.67 105.47 6.72 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.432 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -78.94 5.27 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.175 0.512 . . . . 0.0 111.389 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -82.57 -0.48 47.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.235 0.54 . . . . 0.0 109.7 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.2 tpp -61.91 148.62 42.97 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.792 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.531 ' N ' ' HD2' ' A' ' 59' ' ' LYS . 3.4 mptp? -97.58 152.47 19.0 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.345 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -86.02 161.48 18.94 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.992 0.425 . . . . 0.0 110.172 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' A' ' 26' ' ' LEU . 15.8 m -88.73 145.57 35.28 Favored Pre-proline 0 C--N 1.305 -1.358 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.08 -178.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 61' ' ' VAL . 1.3 Cg_endo -81.76 155.38 18.0 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 -179.049 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.7 m -89.32 134.01 34.24 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.478 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.431 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -126.43 131.44 71.39 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.912 -178.791 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.1 mp -84.95 111.46 20.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 76.6 mt -86.59 97.23 10.42 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.002 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.1 m -90.44 92.55 8.93 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 p -99.2 126.06 52.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.309 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.5 m -132.37 153.34 50.86 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.216 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.86 -17.09 48.16 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -177.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -102.7 -12.74 17.44 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 170.93 164.43 26.63 Favored Glycine 0 CA--C 1.509 -0.339 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.084 -177.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.8 t -126.91 135.79 62.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 120.994 0.426 . . . . 0.0 111.189 -178.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -118.55 136.11 54.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.117 178.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.431 ' HB3' HD11 ' A' ' 64' ' ' ILE . 5.0 m-85 -116.6 107.19 14.41 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.7 mp -117.2 142.61 30.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 CA-C-O 120.669 0.271 . . . . 0.0 110.515 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.662 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 2.3 t70 -79.6 145.94 32.81 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.596 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.28 -17.69 22.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.833 0.349 . . . . 0.0 111.552 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -75.06 -57.8 3.68 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.491 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -111.3 -8.02 14.37 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.794 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.662 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 14.0 mmmm 71.69 29.42 2.56 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.315 -177.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -66.3 129.2 39.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.043 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.0 tp -76.25 88.17 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 CA-C-O 121.966 0.888 . . . . 0.0 108.702 175.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.491 HD11 ' HB2' ' A' ' 77' ' ' ASP . 73.7 mt -60.86 -57.18 13.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.015 -175.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.89 160.74 31.33 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 119.722 -0.791 . . . . 0.0 112.643 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -141.3 134.54 29.46 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.953 -1.021 . . . . 0.0 108.716 175.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.57 154.92 29.32 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.329 178.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -66.33 141.09 58.1 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.572 ' O ' HD13 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.05 -27.99 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 CA-C-O 120.849 0.356 . . . . 0.0 111.473 -176.123 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -7.5 34.44 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.491 ' ND2' HG22 ' A' ' 109' ' ' THR . 0.1 OUTLIER -84.61 -13.6 51.15 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.962 0.41 . . . . 0.0 110.446 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.9 mt -82.51 105.17 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.8 t -72.9 -40.21 65.74 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.085 -175.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.4 t -151.54 152.09 32.46 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.383 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.78 124.5 26.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.566 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.439 ' HB2' HG22 ' A' ' 37' ' ' THR . . . -141.84 172.92 12.02 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.831 0.348 . . . . 0.0 111.297 -178.034 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.528 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 12.0 pt20 -141.46 168.78 18.94 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.265 178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.623 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 13.1 t70 -70.37 136.6 86.39 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.756 -178.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -63.06 -39.53 39.21 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.913 2.408 . . . . 0.0 113.674 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -99.07 -33.54 10.76 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.816 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.623 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 24.3 t70 -104.79 106.17 16.55 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.295 0.569 . . . . 0.0 109.989 177.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -84.33 13.9 4.91 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.427 -176.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.1 t -109.59 -1.41 18.19 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.892 0.377 . . . . 0.0 110.271 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.7 m -119.48 133.44 55.69 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.223 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 40.7 p90 -134.88 158.24 44.76 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.859 0.362 . . . . 0.0 110.835 -178.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.42 ' HB3' ' HB ' ' A' ' 40' ' ' THR . . . -148.6 136.32 20.66 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.304 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -123.49 140.18 53.26 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-O 121.297 0.57 . . . . 0.0 111.24 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.3 mt -93.38 119.16 40.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.846 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.491 HG22 ' ND2' ' A' ' 91' ' ' ASN . 0.2 OUTLIER -113.39 139.99 48.43 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.598 -174.102 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -89.69 103.87 16.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.547 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -103.89 99.1 8.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.123 0.487 . . . . 0.0 110.93 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.6 mt -68.09 -14.47 63.0 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.823 -176.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -74.15 -28.0 61.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.721 0.296 . . . . 0.0 110.735 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.9 t -111.49 -23.36 10.77 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.478 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.1 t30 75.48 -38.75 0.37 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.929 0.892 . . . . 0.0 111.065 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.421 ' NE2' ' HB3' ' A' ' 32' ' ' LYS . 3.5 t-160 -73.71 128.43 35.49 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -63.02 129.85 42.16 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.487 ' CE1' HD13 ' A' ' 30' ' ' LEU . 67.5 m-85 -102.74 145.49 29.64 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.513 177.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 43.7 t -120.49 105.64 11.04 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 176.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -96.15 109.68 22.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.395 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.7 p -106.95 127.04 62.89 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.578 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 18.0 m-85 -124.59 148.8 47.64 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.155 -178.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 32.9 p -102.55 120.11 39.97 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.869 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.2 150.97 27.1 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -85.27 8.89 16.88 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 120.736 0.303 . . . . 0.0 110.409 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' ' 128' ' ' ASN . 21.0 t70 -166.85 142.57 4.36 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.743 -178.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 89.4 t -62.8 -48.39 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.533 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.498 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 7.9 t30 -60.87 -42.33 97.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.107 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.436 ' O ' HG13 ' A' ' 133' ' ' ILE . 2.8 tm? -56.58 -47.07 80.35 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.836 178.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.8 -44.24 97.11 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.735 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.8 96.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.798 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 128' ' ' ASN . 29.7 mm-40 -58.87 -46.73 87.12 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.327 177.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 129' ' ' LEU . 55.1 mt -58.11 -53.59 43.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.062 178.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.46 HD11 ' HB2' ' A' ' 105' ' ' PHE . 45.8 mm -57.84 -44.62 86.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.33 -49.06 79.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.694 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 23.6 m -65.54 -43.84 88.71 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.251 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.08 -48.05 83.34 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.853 0.358 . . . . 0.0 110.517 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.28 -45.13 96.61 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.249 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -63.26 -43.61 97.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.656 0.265 . . . . 0.0 110.665 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.96 -43.92 97.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.755 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -66.9 -37.42 84.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.236 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.99 -53.58 53.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.73 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.0 p -67.93 -25.54 32.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.944 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -71.67 -40.12 69.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.29 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -69.37 -23.78 63.79 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.169 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.867 178.051 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 121.077 0.465 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -141.61 83.24 1.85 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.721 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.757 ' H ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.37 -23.11 61.84 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -177.009 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.482 ' N ' HD22 ' A' ' 14' ' ' LEU . 9.5 tp -56.94 -27.32 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -178.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.82 73.11 2.29 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 120.921 0.391 . . . . 0.0 111.792 -178.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 56.98 25.87 11.16 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.091 174.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.1 m -130.87 178.36 6.72 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.574 -177.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.532 ' HB2' HG13 ' A' ' 68' ' ' VAL . 99.0 m -152.35 107.64 3.28 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.422 176.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -101.89 120.66 40.75 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.213 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.613 ' HB3' HD21 ' A' ' 129' ' ' LEU . 75.8 m-85 -135.34 148.39 49.43 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.675 0.274 . . . . 0.0 111.287 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -99.42 107.91 20.25 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.829 0.347 . . . . 0.0 110.075 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.33 175.49 5.59 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.574 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -101.69 130.57 48.09 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-O 120.752 0.31 . . . . 0.0 110.659 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.471 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 5.6 t80 -72.72 100.46 2.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.286 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.1 tp -84.25 -64.49 1.15 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.391 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.9 161.64 25.5 Favored Glycine 0 C--N 1.34 0.802 0 C-N-CA 118.919 -1.61 . . . . 0.0 113.899 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.453 ' HA ' ' HA ' ' A' ' 120' ' ' HIS . 9.1 t -115.14 115.85 27.43 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 177.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -118.35 136.26 53.83 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.963 0.411 . . . . 0.0 111.344 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.2 tp -89.34 124.17 34.19 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.825 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.7 mm -97.73 136.63 27.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.819 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -75.01 -52.11 11.91 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.021 0.439 . . . . 0.0 110.003 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -122.47 103.0 8.42 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.701 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.514 HD21 HD13 ' A' ' 108' ' ' ILE . 1.9 tm? -70.78 114.05 8.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.26 -178.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.49 ' HG3' ' HB2' ' A' ' 38' ' ' GLU . 5.9 ptp85 -120.49 86.02 2.49 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.215 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.19 -129.6 32.3 Favored Glycine 0 C--N 1.329 0.148 0 CA-C-N 115.558 -0.746 . . . . 0.0 113.612 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -98.08 7.89 45.6 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.492 0.663 . . . . 0.0 110.441 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' HB2' ' HG3' ' A' ' 35' ' ' ARG . 13.0 mm-40 -73.12 -46.11 53.06 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.3 m -57.47 -42.98 83.64 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.972 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.7 p -65.51 -44.22 87.69 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.404 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -63.4 -41.51 98.76 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.81 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -54.47 -59.52 4.57 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.146 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 47' ' ' MET . . . -60.5 -45.17 94.76 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.13 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.9 t -57.92 -56.37 22.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.74 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.84 -49.78 76.35 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.961 0.41 . . . . 0.0 111.681 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -65.32 -38.52 90.43 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.761 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.456 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 13.6 ttm -71.13 -44.68 65.1 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.292 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.431 ' NH2' ' HB3' ' A' ' 101' ' ' ASP . 5.4 ptp180 -64.39 -36.19 83.36 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.968 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.44 99.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.324 178.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -73.26 -30.22 63.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.706 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 38.8 t -68.87 -12.4 61.53 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 122.807 0.443 . . . . 0.0 111.856 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 13.1 pt20 -122.49 22.91 9.83 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.037 0.446 . . . . 0.0 110.423 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -138.28 98.17 3.55 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.09 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.0 t 62.18 43.93 8.18 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.407 0.622 . . . . 0.0 110.741 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 1.4 p -127.37 69.18 1.29 Allowed 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.055 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.48 -40.62 85.26 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.083 0.468 . . . . 0.0 111.086 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -76.34 -49.36 17.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.397 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.8 ttt -70.8 -16.58 62.74 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.52 -177.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 55' ' ' THR . 41.0 ttmt -55.02 -39.86 69.55 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.772 0.32 . . . . 0.0 111.397 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -95.8 85.38 4.09 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.108 0.48 . . . . 0.0 110.382 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.574 HG23 ' HB1' ' A' ' 24' ' ' ALA . 4.0 m -80.18 130.97 63.98 Favored Pre-proline 0 C--N 1.311 -1.068 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.17 177.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.06 138.25 84.34 Favored 'Trans proline' 0 C--O 1.241 0.645 0 C-N-CA 122.943 2.429 . . . . 0.0 113.177 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.2 m -74.52 132.46 41.86 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.49 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -126.2 137.64 57.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.998 -177.23 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 60.4 mt -89.04 107.69 18.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.401 0.62 . . . . 0.0 110.162 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.2 mt -87.21 103.68 15.66 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.786 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.557 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 15.1 m -100.63 97.9 8.52 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-O 121.014 0.435 . . . . 0.0 109.897 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.532 HG13 ' HB2' ' A' ' 19' ' ' CYS . 2.4 p -100.75 129.13 52.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.385 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.3 p -129.29 164.85 22.62 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.72 -10.75 29.57 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -113.11 5.44 17.1 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 148.51 -176.28 27.38 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 119.637 -1.268 . . . . 0.0 112.704 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.1 m -130.5 136.13 59.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.336 0.589 . . . . 0.0 111.392 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.557 ' HG3' ' HB2' ' A' ' 67' ' ' SER . 22.6 pttp -126.08 110.31 13.39 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.59 0.71 . . . . 0.0 109.629 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.49 ' HB3' HD11 ' A' ' 64' ' ' ILE . 21.9 m-85 -94.44 106.0 17.97 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.71 -178.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.0 mt -110.89 146.57 15.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.926 -174.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.512 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 23.0 t70 -70.48 145.53 50.87 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.03 -18.08 29.73 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.3 m -97.23 -50.69 4.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.789 0.328 . . . . 0.0 111.513 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -99.06 -10.6 22.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.852 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 68.2 mttm 62.78 27.66 16.15 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.54 0.686 . . . . 0.0 110.119 -177.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.495 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 63.4 t30 -75.61 135.14 40.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.511 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.745 ' H ' HD13 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -71.75 108.82 3.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.402 0.62 . . . . 0.0 109.569 175.775 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 84.6 mt -90.61 -53.47 8.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.192 -176.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -144.7 110.96 5.54 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.092 0.472 . . . . 0.0 111.59 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -115.74 120.08 38.14 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -145.24 148.46 33.53 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.6 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.59 154.97 40.51 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.6 tt -67.65 -14.42 18.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.376 0.607 . . . . 0.0 110.52 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.8 mmm-85 -64.54 -22.93 67.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.456 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -86.13 -7.08 58.84 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.248 0.547 . . . . 0.0 110.326 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.402 HG12 HG22 ' A' ' 109' ' ' THR . 18.9 mt -97.76 141.07 16.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.1 p -113.31 -34.58 5.59 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.2 t -153.38 166.61 32.12 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.941 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 107' ' ' TYR . . . -143.41 112.66 6.77 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -123.66 172.67 8.64 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.144 0.497 . . . . 0.0 111.337 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 25.0 pt20 -138.14 177.01 8.2 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.99 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.597 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 15.0 t70 -89.36 130.08 45.12 Favored Pre-proline 0 C--N 1.315 -0.926 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.598 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 30.5 Cg_exo -63.01 -37.71 51.38 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.05 2.5 . . . . 0.0 114.155 -178.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -92.14 -36.91 13.05 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.674 -0.411 . . . . 0.0 111.749 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.597 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 17.6 t70 -115.54 94.97 4.93 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mp -76.58 18.84 0.3 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.657 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -108.15 0.17 21.4 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.8 m -120.1 127.06 52.19 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.6 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.461 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 46.3 p90 -130.78 152.6 49.95 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.083 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.37 116.64 9.54 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.609 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.498 ' CZ ' ' HB3' ' A' ' 120' ' ' HIS . 50.5 p90 -94.81 148.14 22.61 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.944 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.514 HD13 HD21 ' A' ' 34' ' ' LEU . 56.9 mt -107.73 125.74 64.17 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.53 -177.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.402 HG22 HG12 ' A' ' 92' ' ' ILE . 12.8 p -117.1 151.75 36.17 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.942 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.23 81.51 1.62 Allowed 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.463 0.649 . . . . 0.0 110.478 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.75 117.67 12.56 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.653 -178.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.593 HD23 ' H ' ' A' ' 112' ' ' LEU . 2.2 pt? -58.21 -18.13 23.93 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -95.38 -22.97 17.38 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.663 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' A' ' 115' ' ' ASN . 26.9 t -92.52 -23.08 19.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.421 ' HB3' ' O ' ' A' ' 114' ' ' SER . 33.2 t30 73.62 -54.73 0.68 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.205 0.602 . . . . 0.0 111.161 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -79.16 162.95 25.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.637 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -81.97 130.77 35.17 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -176.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -95.65 119.83 34.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.834 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 97.8 m -101.8 106.71 17.74 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 107' ' ' TYR . 3.2 t-160 -98.36 116.64 31.02 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.4 p -104.47 133.15 49.35 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.38 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.49 ' CE1' HG21 ' A' ' 64' ' ' ILE . 48.4 m-85 -123.8 140.27 53.15 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.569 177.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.44 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 7.4 p -98.78 114.95 27.72 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.149 178.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.26 155.85 24.65 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.78 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -91.62 7.12 43.01 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -164.11 145.49 8.69 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.528 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 92.8 t -65.74 -45.42 91.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.721 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -59.05 -40.56 85.51 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-O 121.03 0.443 . . . . 0.0 109.836 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.613 HD21 ' HB3' ' A' ' 21' ' ' TYR . 5.4 tt -58.22 -53.31 59.75 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.689 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.86 91.8 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.184 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.37 -42.58 91.95 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.385 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -60.15 -48.25 82.49 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.5 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.7 mt -57.19 -45.65 84.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.462 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.447 HD11 ' HB2' ' A' ' 105' ' ' PHE . 41.1 mm -60.23 -41.23 86.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 CA-C-O 120.983 0.42 . . . . 0.0 110.482 178.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.4 tt -63.33 -51.12 67.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.179 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 24.8 m -58.08 -50.74 72.43 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.323 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 81.9 mt -57.62 -48.79 78.46 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.742 0.306 . . . . 0.0 111.434 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.6 -48.21 87.35 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.051 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -69.46 -35.57 75.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.692 0.282 . . . . 0.0 111.223 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.417 ' O ' HG12 ' A' ' 143' ' ' VAL . . . -66.86 -40.55 87.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.862 0.363 . . . . 0.0 110.74 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -71.43 -32.2 68.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.227 0.537 . . . . 0.0 109.913 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.24 -44.28 79.83 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.149 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' ' 140' ' ' ALA . 7.3 p -67.76 -23.29 29.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.252 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -77.81 -20.84 52.5 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.206 177.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -83.62 -31.4 26.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.014 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.466 -0.778 . . . . 0.0 110.86 -179.823 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -134.33 117.15 16.06 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.025 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mp -92.53 12.78 21.83 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.962 -178.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.6 tp -60.8 -17.33 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.76 -11.09 19.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.088 0.47 . . . . 0.0 111.196 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -118.82 -0.26 11.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.429 0.633 . . . . 0.0 110.608 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.534 ' HB3' ' HB2' ' A' ' 69' ' ' SER . 68.7 p -163.87 158.28 19.73 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.04 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.635 ' SG ' HG13 ' A' ' 68' ' ' VAL . 32.0 p -99.31 118.15 35.33 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.984 178.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -108.87 117.35 33.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.208 -177.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.471 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 65.4 m-85 -138.74 179.61 6.38 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.451 ' NZ ' ' HB2' ' A' ' 22' ' ' LYS . 9.2 mtmp? -115.98 114.97 25.34 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.01 0.433 . . . . 0.0 110.403 178.121 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.87 170.9 7.63 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.438 ' HB3' ' OG1' ' A' ' 123' ' ' THR . . . -108.25 124.08 49.76 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.688 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.444 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 1.8 t80 -67.34 99.44 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.457 HD22 HG23 ' A' ' 123' ' ' THR . 33.3 tp -84.89 -55.53 4.03 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.515 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.15 160.04 30.54 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 118.94 -1.6 . . . . 0.0 113.833 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.3 p -132.09 111.16 11.24 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -113.14 144.57 42.43 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.91 0.386 . . . . 0.0 111.006 -176.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.502 HD23 ' CD2' ' A' ' 118' ' ' TYR . 3.3 tm? -105.57 121.48 44.06 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.2 mm -96.67 131.42 43.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.718 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.45 ' HG3' ' HG2' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -58.6 -49.91 75.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.536 -179.008 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.45 ' HG2' ' HG3' ' A' ' 32' ' ' LYS . 16.9 pt-20 -160.63 123.17 3.24 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.978 HD11 ' HB2' ' A' ' 38' ' ' GLU . 2.2 tm? -176.56 139.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.65 ' N ' HD13 ' A' ' 34' ' ' LEU . 5.3 ptp180 -118.53 120.54 37.82 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.571 177.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.78 -159.01 14.04 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 119.889 -1.148 . . . . 0.0 114.925 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 15.2 t -79.04 -13.3 59.86 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.484 0.714 . . . . 0.0 112.84 -174.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.978 ' HB2' HD11 ' A' ' 34' ' ' LEU . 53.8 mm-40 -53.24 -33.9 54.89 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.975 0.417 . . . . 0.0 110.636 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.59 ' OG ' HD12 ' A' ' 34' ' ' LEU . 14.5 m -56.37 -48.25 77.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.858 176.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 p -68.53 -40.45 80.75 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 37' ' ' THR . 18.9 mm-40 -57.74 -49.1 77.68 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.497 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.31 -50.14 64.64 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.1 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.517 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -58.42 -52.09 67.09 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.014 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.446 ' HA ' ' HE3' ' A' ' 47' ' ' MET . 8.3 t -56.62 -52.81 63.43 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.345 -178.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.98 -59.46 4.72 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -65.96 -53.41 39.37 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -176.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.517 ' HB3' ' O ' ' A' ' 43' ' ' ALA . 2.2 tmm? -65.06 -34.68 79.01 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -64.36 -47.88 77.65 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . . . -68.75 -13.78 62.6 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.322 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -84.86 -46.73 11.05 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.966 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.2 t -82.84 -81.07 0.16 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.119 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -108.41 108.32 19.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.016 0.436 . . . . 0.0 111.604 -175.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.554 ' HD3' ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -148.76 -11.87 0.33 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.787 -178.653 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 m -58.03 -57.87 10.91 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.623 0.249 . . . . 0.0 111.533 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 95.5 m -155.72 -73.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.541 0.21 . . . . 0.0 111.433 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -99.34 170.3 8.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.761 0.315 . . . . 0.0 111.364 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -71.05 97.88 1.55 Allowed 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.8 mtt -68.91 111.82 5.19 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.957 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -82.9 106.26 14.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.665 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -159.38 26.6 0.2 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.571 0.7 . . . . 0.0 109.513 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.432 ' HB ' ' O ' ' A' ' 25' ' ' TYR . 27.5 m -110.4 150.41 41.58 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.733 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.23 144.12 67.35 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.939 2.426 . . . . 0.0 112.512 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.3 m -87.05 135.01 33.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.607 HG21 ' CE1' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -131.63 133.63 61.37 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 120.904 0.383 . . . . 0.0 110.348 -178.283 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.3 mt -77.75 111.7 14.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.478 0.656 . . . . 0.0 110.389 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.39 101.04 13.26 Favored 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.201 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.536 ' HA ' ' O ' ' A' ' 19' ' ' CYS . 46.4 t -119.47 122.56 41.98 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 121.138 0.494 . . . . 0.0 110.365 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.635 HG13 ' SG ' ' A' ' 19' ' ' CYS . 0.3 OUTLIER -125.2 130.01 73.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.248 -177.891 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.534 ' HB2' ' HB3' ' A' ' 18' ' ' SER . 22.2 t -121.24 158.29 28.42 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.193 177.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.81 -15.45 62.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.027 0.442 . . . . 0.0 111.051 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.5 22.86 13.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.574 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 147.42 150.06 5.11 Favored Glycine 0 CA--C 1.506 -0.479 0 C-N-CA 119.52 -1.324 . . . . 0.0 113.181 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.423 HG22 HG23 ' A' ' 68' ' ' VAL . 35.2 t -117.78 138.72 47.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.527 ' HG3' ' HB3' ' A' ' 67' ' ' SER . 0.5 OUTLIER -130.52 133.16 46.04 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.603 0.716 . . . . 0.0 111.697 -178.11 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.549 ' HB3' HD11 ' A' ' 64' ' ' ILE . 17.7 m-85 -119.57 103.58 9.54 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.928 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.421 ' O ' HG12 ' A' ' 64' ' ' ILE . 4.2 mp -112.91 143.7 22.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.465 ' HB3' ' H ' ' A' ' 82' ' ' ASN . 9.5 t70 -67.61 132.7 48.04 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.28 -24.55 39.97 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.4 m -98.63 -44.24 6.52 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 120.914 0.388 . . . . 0.0 111.1 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -91.33 -13.96 31.63 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.63 -176.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt 63.31 19.13 11.5 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.257 0.551 . . . . 0.0 110.968 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.465 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 56.2 t30 -81.38 135.45 35.66 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.373 -177.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.784 ' H ' HD13 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -75.14 92.08 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 121.899 0.857 . . . . 0.0 109.721 175.652 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.7 mt -69.77 -52.08 34.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.037 -176.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -165.82 139.25 4.34 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.523 178.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -151.24 124.37 8.75 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -147.24 176.04 10.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.959 0.409 . . . . 0.0 111.303 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -69.62 150.15 47.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.687 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.9 tp -60.15 -36.15 66.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-O 120.683 0.278 . . . . 0.0 111.387 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -73.43 1.17 10.31 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -84.68 -20.79 30.67 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.9 mt -79.59 108.08 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.053 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.3 t -69.87 -39.59 76.22 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.838 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.582 ' HB2' ' CG1' ' A' ' 108' ' ' ILE . 17.1 m -150.61 149.72 30.25 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 120.79 0.328 . . . . 0.0 111.723 -178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.82 109.85 5.58 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.07 142.45 42.39 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.015 0.436 . . . . 0.0 112.049 -175.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.44 ' H ' ' CD ' ' A' ' 97' ' ' GLN . 5.2 pm0 -92.83 143.82 25.89 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 174.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -86.72 150.04 49.8 Favored Pre-proline 0 C--N 1.304 -1.405 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -173.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.54 -36.41 34.06 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.392 2.728 . . . . 0.0 113.674 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -70.97 -20.35 62.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -157.75 114.86 2.96 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.868 0.366 . . . . 0.0 110.637 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.8 -9.86 58.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.5 p -97.03 2.6 51.61 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.42 0.629 . . . . 0.0 110.085 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 89.0 m -110.66 122.44 47.79 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.514 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.429 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 41.0 p90 -132.84 143.74 49.74 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.979 0.418 . . . . 0.0 111.213 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -130.73 139.8 50.29 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.463 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 120' ' ' HIS . 43.2 p90 -122.48 150.56 42.35 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.745 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.582 ' CG1' ' HB2' ' A' ' 94' ' ' CYS . 1.4 mm -107.8 116.61 51.63 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.9 p -115.6 160.23 20.27 Favored 'General case' 0 C--N 1.311 -1.075 0 O-C-N 123.336 0.397 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.14 76.93 1.65 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.927 0.87 . . . . 0.0 110.587 177.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.7 172.13 9.24 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.498 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.21 -12.04 60.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.34 0.591 . . . . 0.0 110.008 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' A' ' 113' ' ' LYS . 0.5 OUTLIER -104.0 2.55 32.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.672 176.779 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.8 m -132.44 77.03 1.73 Allowed 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.549 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -71.01 -18.52 62.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.343 0.592 . . . . 0.0 109.779 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.458 ' HB2' HD21 ' A' ' 30' ' ' LEU . 27.1 m80 -94.07 171.78 8.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.273 175.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -82.3 106.11 13.92 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.101 0.477 . . . . 0.0 111.214 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.502 ' CD2' HD23 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -92.25 122.42 34.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.555 179.704 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 19.7 p -109.3 114.53 28.29 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.311 0.576 . . . . 0.0 110.349 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 107' ' ' TYR . 3.6 t-160 -107.33 119.24 38.86 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.336 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.476 HG11 ' CE ' ' A' ' 47' ' ' MET . 7.8 p -109.47 131.5 60.18 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 CA-C-O 121.259 0.552 . . . . 0.0 111.461 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.607 ' CE1' HG21 ' A' ' 64' ' ' ILE . 56.9 m-85 -124.19 148.32 47.35 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.594 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.457 HG23 HD22 ' A' ' 26' ' ' LEU . 22.9 p -110.95 130.98 55.42 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.405 177.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.9 162.19 14.52 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.799 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -92.7 3.3 55.86 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.222 0.534 . . . . 0.0 109.968 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -160.75 138.04 9.19 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.633 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 86.4 t -63.65 -46.12 95.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.682 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.99 -38.02 87.03 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.062 0.458 . . . . 0.0 110.317 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.7 -52.08 66.62 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.488 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.44 97.46 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.889 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.87 94.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.827 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.35 -38.57 91.5 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.257 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 67.1 mt -61.31 -47.29 94.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 25.9 mm -58.17 -45.23 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.405 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 75.4 mt -58.95 -51.42 70.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.97 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.9 m -57.48 -43.89 84.45 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.692 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.94 -46.61 88.56 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.903 0.382 . . . . 0.0 110.342 177.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.67 -49.63 76.42 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.186 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.77 -38.74 86.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.731 0.301 . . . . 0.0 110.879 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.83 92.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.352 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -74.35 -32.1 62.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.073 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.68 -47.11 76.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.53 -12.05 15.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.093 0.473 . . . . 0.0 110.629 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -71.0 -18.48 62.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -83.65 -4.74 58.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.891 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.625 -0.702 . . . . 0.0 109.724 -178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.738 0.304 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -76.34 132.11 39.58 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.084 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.5 mt -79.67 4.91 14.7 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.947 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.9 tt -57.42 -16.81 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-O 121.082 0.468 . . . . 0.0 112.137 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.81 -17.22 25.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.824 0.345 . . . . 0.0 111.082 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -115.15 -17.88 11.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.304 0.573 . . . . 0.0 110.912 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.9 p -122.25 120.68 34.82 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.126 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.8 m -74.85 111.99 10.62 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -91.09 113.43 25.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.575 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -119.1 123.2 43.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.468 0.175 . . . . 0.0 110.827 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -83.36 108.06 16.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.879 0.371 . . . . 0.0 110.363 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.77 167.14 10.59 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.57 ' HB1' ' CG2' ' A' ' 61' ' ' VAL . . . -105.16 118.41 36.48 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.519 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.483 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -70.36 107.52 3.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.069 -178.124 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.406 ' HB3' HG13 ' A' ' 121' ' ' VAL . 33.6 tp -86.33 -52.87 5.35 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.361 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.82 150.61 8.96 Favored Glycine 0 C--N 1.336 0.569 0 C-N-CA 119.444 -1.36 . . . . 0.0 113.514 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.3 p -106.12 104.47 14.18 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.6 tpp -109.58 133.47 53.07 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 120.971 0.415 . . . . 0.0 111.216 -175.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.6 tp -84.92 117.27 23.82 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.053 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.6 mm -87.75 127.73 40.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.636 -175.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -81.08 -58.04 3.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.546 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -96.6 99.72 11.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.609 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -80.72 107.17 13.3 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.596 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.466 ' HG3' ' HB2' ' A' ' 38' ' ' GLU . 13.0 ptp180 -127.7 29.22 5.51 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.29 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.14 -143.69 18.93 Favored Glycine 0 C--N 1.324 -0.125 0 CA-C-N 115.862 -0.608 . . . . 0.0 113.507 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 t -67.33 -12.62 60.62 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.331 0.586 . . . . 0.0 111.344 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.466 ' HB2' ' HG3' ' A' ' 35' ' ' ARG . 19.6 mm-40 -66.5 -41.01 89.54 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.204 0.526 . . . . 0.0 109.716 176.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.0 m -64.38 -39.71 94.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.108 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.421 HG22 ' SG ' ' A' ' 119' ' ' CYS . 61.2 p -66.4 -43.9 84.52 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.519 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -62.19 -40.29 95.55 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.059 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' A' ' 46' ' ' LYS . 21.8 t70 -58.88 -53.2 61.06 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.368 178.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.09 -51.46 67.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.242 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.436 ' SG ' HG21 ' A' ' 104' ' ' THR . 45.6 t -54.11 -57.4 11.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.099 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.28 -29.5 69.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 1.4 tppp? -60.81 -65.2 0.73 Allowed 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.167 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -66.08 -32.64 74.23 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.676 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 48' ' ' ARG . 44.3 ttt180 -61.39 -47.53 85.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.735 0.302 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.78 -11.87 54.86 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -94.52 -41.19 9.48 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.889 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 48.6 t -70.04 -9.65 56.03 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.833 -177.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -76.6 10.27 2.25 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.144 0.497 . . . . 0.0 110.24 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -52.36 -36.45 53.77 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 123.844 0.858 . . . . 0.0 110.746 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.9 m -133.62 144.09 49.03 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.245 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 15.4 m 75.23 -13.68 0.83 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.077 0.551 . . . . 0.0 112.37 177.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 55' ' ' THR . 34.3 mm-40 71.07 -57.73 0.59 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.32 0.648 . . . . 0.0 110.566 -176.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -127.53 108.59 10.93 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 176.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.405 ' SD ' ' N ' ' A' ' 58' ' ' MET . 0.4 OUTLIER -60.0 128.89 39.1 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.902 -178.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.38 -39.69 95.2 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.504 -177.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.05 160.05 30.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.256 0.55 . . . . 0.0 111.379 178.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.572 ' HB ' ' HD2' ' A' ' 62' ' ' PRO . 29.7 m -138.52 170.88 9.23 Favored Pre-proline 0 C--N 1.308 -1.212 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 176.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.572 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 85.5 Cg_exo -48.77 107.4 0.14 Allowed 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.442 2.095 . . . . 0.0 113.48 -177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.2 m -76.35 127.05 32.11 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.467 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -124.96 138.51 54.0 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.328 -177.006 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.511 HG13 ' HB2' ' A' ' 78' ' ' ALA . 35.9 mt -89.73 99.82 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-O 120.994 0.426 . . . . 0.0 110.211 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.12 95.64 4.96 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.531 ' HB3' ' HG3' ' A' ' 74' ' ' LYS . 36.8 t -97.65 109.56 22.29 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-O 121.509 0.671 . . . . 0.0 110.182 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 p -112.42 134.29 55.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.314 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.1 t -140.1 -179.81 6.19 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.35 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.62 105.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.951 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.524 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 49.2 mtmt 68.75 4.48 4.43 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.363 -0.835 . . . . 0.0 113.238 177.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -137.94 136.48 8.18 Favored Glycine 0 CA--C 1.508 -0.375 0 C-N-CA 119.526 -1.321 . . . . 0.0 113.222 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.1 t -131.07 124.83 56.59 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 CA-C-O 121.4 0.619 . . . . 0.0 110.839 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.531 ' HG3' ' HB3' ' A' ' 67' ' ' SER . 14.5 pttp -119.88 126.01 49.88 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.664 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.467 ' HB3' HD11 ' A' ' 64' ' ' ILE . 4.5 m-85 -106.35 100.05 9.6 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.184 -175.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.1 mt -107.82 144.91 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.556 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.733 ' HB3' ' H ' ' A' ' 82' ' ' ASN . 17.1 t70 -76.1 133.53 40.26 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.507 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.511 ' HB2' HG13 ' A' ' 65' ' ' ILE . . . -91.03 -10.02 43.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -177.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.7 m -91.4 -45.62 8.46 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -135.04 31.44 3.26 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.696 -176.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt 44.04 44.59 6.26 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.525 0.73 . . . . 0.0 112.384 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.733 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 53.2 t30 -93.14 134.57 35.17 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.538 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.6 tp -79.33 92.46 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.677 0.751 . . . . 0.0 109.331 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.42 -57.17 8.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.289 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.61 159.82 43.21 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.436 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -154.39 113.52 3.69 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -152.71 144.38 23.5 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.475 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.45 151.56 32.31 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.9 tt -63.46 -16.0 17.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.025 0.44 . . . . 0.0 111.269 -177.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -69.51 -14.97 63.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.158 0.504 . . . . 0.0 110.396 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -80.45 -18.05 49.91 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.2 mt -88.96 126.56 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.02 177.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.3 t -98.02 -28.79 13.62 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.46 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 53.6 t -152.81 151.67 30.71 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.054 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.25 106.13 5.17 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.08 142.72 50.95 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.986 0.422 . . . . 0.0 112.025 -176.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 21.3 pt20 -103.5 156.95 17.38 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.632 176.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.09 139.99 79.9 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-O 121.15 0.5 . . . . 0.0 111.916 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -68.03 -39.23 11.18 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.705 2.27 . . . . 0.0 112.737 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -83.23 -17.17 43.66 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.593 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -147.65 111.21 4.97 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.907 0.384 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.8 mp -85.66 9.56 15.87 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.5 t -100.37 8.23 43.78 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.436 HG21 ' SG ' ' A' ' 44' ' ' CYS . 15.2 m -132.01 134.98 46.19 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.51 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 43.4 p90 -141.88 152.04 43.23 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.938 0.399 . . . . 0.0 110.846 -177.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.35 124.68 16.55 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.393 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -105.46 144.39 32.29 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.116 0.484 . . . . 0.0 110.334 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.505 ' CG2' ' HB3' ' A' ' 117' ' ' HIS . 57.8 mt -109.68 125.36 66.85 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.198 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.0 p -106.14 149.4 26.81 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.875 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -98.99 69.12 1.75 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.622 0.725 . . . . 0.0 109.641 177.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -82.5 102.66 11.5 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.272 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.488 HD23 ' H ' ' A' ' 112' ' ' LEU . 2.5 pt? -61.36 -23.13 65.55 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.773 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.54 -23.25 67.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.971 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.3 m -115.99 -1.36 12.53 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.605 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 67.98 -61.85 0.37 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.039 0.936 . . . . 0.0 112.138 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -74.55 170.62 15.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.025 0.441 . . . . 0.0 110.502 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.505 ' HB3' ' CG2' ' A' ' 108' ' ' ILE . 93.8 m-70 -90.58 125.21 35.55 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.982 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -88.2 119.26 28.44 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.02 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.421 ' SG ' HG22 ' A' ' 40' ' ' THR . 44.9 t -92.53 110.64 22.06 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 177.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.436 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 76.6 m-70 -97.6 104.32 16.34 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.406 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.2 p -97.33 128.92 48.13 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 0 CA-C-O 121.142 0.496 . . . . 0.0 111.13 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.483 ' CD2' ' HA ' ' A' ' 25' ' ' TYR . 85.8 m-85 -128.66 142.09 51.14 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.093 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.404 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 27.8 p -98.39 125.28 43.49 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.435 177.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.9 152.4 22.11 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.066 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -74.45 -22.55 59.06 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.452 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -146.65 153.43 40.3 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.851 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.61 -45.76 96.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.9 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.416 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 11.4 t30 -62.41 -35.11 78.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.537 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.407 ' O ' HG13 ' A' ' 133' ' ' ILE . 2.9 tm? -62.33 -47.6 83.53 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.12 -45.16 94.71 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.51 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.34 -43.56 88.35 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.892 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 128' ' ' ASN . 43.7 mm-40 -59.3 -46.39 88.69 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.982 178.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 129' ' ' LEU . 48.4 mt -57.64 -53.12 48.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 179.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 41.7 mm -60.84 -38.39 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.88 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.7 -48.7 73.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.05 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 14.4 m -63.76 -39.48 94.38 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.543 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.29 -45.55 94.01 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.054 0.454 . . . . 0.0 109.876 175.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.521 ' HA2' ' CZ ' ' A' ' 141' ' ' PHE . . . -54.74 -47.59 70.48 Favored Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.603 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.7 -41.44 98.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.884 0.374 . . . . 0.0 110.783 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.91 -43.66 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.432 -177.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.521 ' CZ ' ' HA2' ' A' ' 138' ' ' GLY . 3.0 p90 -88.63 -19.01 26.79 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 119.173 -1.011 . . . . 0.0 111.795 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 138' ' ' GLY . 10.9 tp10 -67.42 -44.13 79.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 7.4 p -70.16 -15.78 19.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.544 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 71' ' ' LYS . . . -78.9 -25.73 43.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.238 0.542 . . . . 0.0 110.134 178.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -98.5 -26.79 14.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.763 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.589 -0.719 . . . . 0.0 110.736 -179.381 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.6 15.31 14.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.028 0.442 . . . . 0.0 111.755 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -69.05 -14.29 62.94 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.675 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.404 HD13 ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -60.88 -25.4 35.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.565 179.782 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.23 -3.22 58.9 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.269 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -114.85 -13.42 11.99 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.581 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.2 p -91.28 109.43 20.7 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.732 176.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.439 ' HB2' HG13 ' A' ' 68' ' ' VAL . 72.0 m -113.26 111.99 22.97 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.004 -177.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.32 107.14 15.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.422 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -131.25 172.43 12.16 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 121.137 -0.225 . . . . 0.0 110.976 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 56.4 mttp -118.59 145.23 45.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.104 0.478 . . . . 0.0 110.809 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.09 167.2 23.29 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.227 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.72 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -95.98 115.97 28.23 Favored 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.5 119.48 14.73 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -177.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.481 ' HB3' HG13 ' A' ' 121' ' ' VAL . 25.5 tp -86.18 -50.73 6.77 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.592 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.21 156.96 13.75 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 118.901 -1.619 . . . . 0.0 114.593 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.5 m -100.98 107.21 18.62 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.8 tpp -112.57 136.2 52.39 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.599 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.9 tp -85.04 130.57 34.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.007 0.432 . . . . 0.0 110.378 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.4 mm -102.09 138.14 27.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.193 -177.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -87.77 -54.47 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.231 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -110.94 124.35 51.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.217 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -83.65 100.98 11.19 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' A' ' 38' ' ' GLU . 8.0 ptp180 -136.26 83.7 2.03 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.78 -176.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.58 -135.42 37.72 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-N 115.541 -0.754 . . . . 0.0 113.401 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.3 t -89.96 -0.3 57.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.906 0.384 . . . . 0.0 110.925 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.408 ' HB3' ' HG3' ' A' ' 35' ' ' ARG . 6.8 tp10 -62.04 -42.4 99.14 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 m -62.81 -46.94 85.63 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.787 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.506 HG23 HD11 ' A' ' 108' ' ' ILE . 28.5 p -64.76 -34.93 79.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.758 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -73.08 -40.91 64.64 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.854 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 46' ' ' LYS . 14.6 t70 -55.93 -50.22 71.32 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 176.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.68 -57.38 13.18 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.927 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 98' ' ' ASP . 49.8 t -51.76 -56.73 12.12 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.496 -178.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.479 ' HA ' ' HG3' ' A' ' 48' ' ' ARG . . . -57.08 -42.73 81.2 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 120.891 0.377 . . . . 0.0 111.082 -179.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 16.8 ttmm -56.98 -50.02 73.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.891 -178.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -74.4 -42.87 58.51 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.479 ' HG3' ' HA ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -63.47 -23.33 67.35 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.879 -177.498 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.96 -42.47 5.32 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -95.95 -33.64 12.1 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -175.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.6 t -81.2 17.21 1.33 Allowed 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -174.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.435 ' C ' ' HG2' ' A' ' 58' ' ' MET . 11.8 pt20 -86.1 20.62 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.168 0.508 . . . . 0.0 110.754 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -158.25 31.45 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.092 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.5 m -113.84 86.29 2.38 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -172.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.7 m 66.91 -78.71 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 171.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -64.54 165.62 9.76 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 123.163 0.585 . . . . 0.0 111.971 -173.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -66.38 96.0 0.34 Allowed 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.435 ' HG2' ' C ' ' A' ' 52' ' ' GLN . 0.4 OUTLIER -50.89 -40.78 57.44 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 -174.562 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.5 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 0.9 OUTLIER -80.54 -5.3 56.53 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.568 -0.453 . . . . 0.0 112.126 -175.844 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -119.4 -49.46 2.37 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 121.069 -0.253 . . . . 0.0 111.116 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.72 HG23 ' HB1' ' A' ' 24' ' ' ALA . 0.0 OUTLIER 49.04 173.25 0.02 OUTLIER Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 124.716 1.207 . . . . 0.0 112.941 -177.737 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -66.23 103.93 0.69 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 121.569 1.513 . . . . 0.0 112.204 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.4 m -69.55 116.78 10.36 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.863 HD11 ' HB3' ' A' ' 75' ' ' PHE . 1.3 tt -108.93 147.09 13.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.82 -173.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.446 ' N ' HG12 ' A' ' 64' ' ' ILE . 3.3 mp -94.09 105.99 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.3 mt -89.45 103.05 15.72 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.779 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.509 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 35.0 t -105.15 115.35 30.13 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 121.487 0.661 . . . . 0.0 110.324 178.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.439 HG13 ' HB2' ' A' ' 19' ' ' CYS . 5.3 p -120.82 138.5 51.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.135 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.6 m -140.87 -178.53 5.59 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.935 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.59 100.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.298 0.374 . . . . 0.0 111.228 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 144' ' ' ALA . 46.6 mmtm 72.25 1.86 4.11 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.907 0.883 . . . . 0.0 112.299 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.32 142.68 17.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.369 -0.92 . . . . 0.0 113.247 -176.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.529 ' HB ' ' O ' ' A' ' 87' ' ' HIS . 52.0 t -132.53 115.78 26.24 Favored 'Isoleucine or valine' 0 C--O 1.248 1.016 0 CA-C-O 121.231 0.539 . . . . 0.0 111.033 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 67' ' ' SER . 74.8 mmtt -128.33 98.29 5.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.803 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.863 ' HB3' HD11 ' A' ' 64' ' ' ILE . 20.7 m-30 -108.99 113.63 26.68 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.356 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.4 mp -120.82 149.26 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-O 120.877 0.37 . . . . 0.0 111.512 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.527 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 8.9 t70 -78.79 155.59 29.19 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 123.554 0.742 . . . . 0.0 111.045 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.25 -33.57 13.21 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 37.8 m -74.08 -54.34 8.03 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -175.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -107.59 -9.85 15.8 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.617 0.246 . . . . 0.0 110.812 -177.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 8.7 mtmp? 71.04 26.51 3.51 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.689 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -73.6 136.17 43.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.588 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.41 HD12 ' N ' ' A' ' 83' ' ' ILE . 3.9 mp -80.7 118.46 28.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.89 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.21 -48.29 19.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.824 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.73 113.28 8.49 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 120.452 -0.499 . . . . 0.0 112.26 -177.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -117.72 99.63 7.07 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.174 175.505 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.529 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 7.6 p80 -166.78 165.53 16.25 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.305 -177.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.415 ' CD ' HH21 ' A' ' 90' ' ' ARG . 42.1 mt-10 -81.9 165.88 20.4 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 45.9 mt -64.38 -25.59 38.32 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-O 121.136 0.494 . . . . 0.0 109.883 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.415 HH21 ' CD ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -65.8 -13.05 58.74 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.325 177.739 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -86.68 -18.6 30.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.258 0.551 . . . . 0.0 109.764 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.426 ' HA ' HG22 ' A' ' 109' ' ' THR . 46.6 mt -84.25 114.4 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.326 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.2 m -86.73 -26.58 24.14 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.868 -175.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 18.2 t -161.82 161.04 28.88 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.653 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.01 136.43 25.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -151.47 -176.73 5.71 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.974 0.416 . . . . 0.0 111.428 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 11.2 pt20 -146.76 172.85 12.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.781 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.637 ' OD1' ' HG2' ' A' ' 100' ' ' GLU . 12.7 t70 -86.04 137.16 35.44 Favored Pre-proline 0 C--N 1.323 -0.582 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.797 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 32.1 Cg_exo -63.81 -38.83 36.95 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.128 2.552 . . . . 0.0 113.92 179.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.637 ' HG2' ' OD1' ' A' ' 98' ' ' ASP . 11.5 pt-20 -88.51 -35.72 16.82 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.715 -176.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -110.64 103.59 12.18 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.164 0.507 . . . . 0.0 109.969 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 66.4 mt -80.65 5.48 15.46 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.564 -176.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.2 t -106.72 -0.25 23.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.157 0.504 . . . . 0.0 110.237 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 36.2 m -113.56 125.49 54.24 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.284 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 37.2 p90 -130.12 155.6 45.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.674 -178.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -148.58 134.71 19.27 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.536 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -120.27 148.73 43.34 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.013 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.506 HD11 HG23 ' A' ' 40' ' ' THR . 50.0 mt -112.41 127.49 69.59 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.665 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.426 HG22 ' HA ' ' A' ' 92' ' ' ILE . 3.6 p -111.31 -171.78 1.9 Allowed 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.667 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -132.86 124.92 28.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.032 176.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -111.79 121.04 44.0 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.004 0.431 . . . . 0.0 110.482 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -47.74 81.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.327 -174.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.548 ' HD3' ' H ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -80.83 2.25 27.18 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.114 -0.634 . . . . 0.0 112.38 -177.36 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.5 t -100.49 -34.53 9.89 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 66.24 14.96 9.92 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.369 -177.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.14 -169.52 2.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.625 178.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.446 ' HB3' ' CG2' ' A' ' 108' ' ' ILE . 93.3 m-70 -117.84 134.67 54.7 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 120.769 0.318 . . . . 0.0 111.225 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -98.04 127.05 43.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.456 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.1 t -100.5 112.98 25.41 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 177.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -97.14 106.54 18.89 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.481 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.5 p -104.52 130.57 55.18 Favored 'Isoleucine or valine' 0 C--O 1.248 0.979 0 CA-C-O 121.129 0.49 . . . . 0.0 111.247 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -129.08 144.01 51.05 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.54 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 33.3 p -103.63 110.23 22.22 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.9 164.85 25.78 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.482 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -96.96 2.14 51.21 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.958 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -155.37 134.84 12.5 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.492 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 87.1 t -64.08 -55.18 23.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.002 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.13 -37.94 81.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.073 -178.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.466 ' O ' HG13 ' A' ' 133' ' ' ILE . 3.1 tm? -63.84 -46.08 86.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.272 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.84 -49.99 75.55 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.099 0.476 . . . . 0.0 110.669 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.01 -34.5 74.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.773 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -73.2 -29.76 63.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.389 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 129' ' ' LEU . 64.4 mt -64.92 -46.09 92.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 174.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 44.7 mm -60.4 -39.56 81.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.231 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 14.5 tp -59.47 -47.32 85.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.91 177.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 43.5 m -58.27 -54.08 51.0 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.367 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 65.5 mt -56.1 -51.28 68.48 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 121.101 0.477 . . . . 0.0 110.956 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -55.81 -54.42 35.2 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.425 -0.807 . . . . 0.0 113.291 -177.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -65.81 -36.9 84.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.919 0.36 . . . . 0.0 111.454 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.01 -30.97 72.01 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.725 0.297 . . . . 0.0 111.132 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -88.52 -38.12 15.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.947 0.403 . . . . 0.0 110.804 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.27 -40.86 96.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.387 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.579 ' HA ' ' OE1' ' A' ' 146' ' ' GLN . 11.4 p -56.52 -20.54 11.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.428 ' HB2' ' HE3' ' A' ' 71' ' ' LYS . . . -74.61 -9.92 59.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.756 0.312 . . . . 0.0 111.33 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -90.31 -9.98 45.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.012 0.434 . . . . 0.0 111.049 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLN . . . . . 0.579 ' OE1' ' HA ' ' A' ' 143' ' ' VAL . 2.4 mp0 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.112 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.895 0.378 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -84.15 98.48 9.94 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.053 0.454 . . . . 0.0 110.197 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.71 -18.93 61.61 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.509 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.664 ' HA ' ' O ' ' A' ' 18' ' ' SER . 14.5 tt -65.8 -6.18 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 CA-C-O 121.092 0.472 . . . . 0.0 111.944 -178.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.51 -11.0 41.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.953 0.406 . . . . 0.0 110.681 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -130.5 -19.62 3.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.303 0.573 . . . . 0.0 111.193 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.664 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 9.6 m -143.31 161.66 37.75 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.79 -178.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.4 m -133.79 132.96 41.1 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 120.799 0.333 . . . . 0.0 110.805 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -102.72 115.17 30.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.369 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -127.06 121.97 33.04 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.472 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -84.33 106.86 16.26 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.165 0.507 . . . . 0.0 110.802 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.77 179.36 3.99 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.727 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.535 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -113.53 130.42 56.35 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.922 177.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.414 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -77.39 106.37 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.848 0.356 . . . . 0.0 110.424 -177.272 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.445 ' HB3' HG13 ' A' ' 121' ' ' VAL . 52.1 tp -79.21 -57.82 3.53 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.73 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.53 164.73 29.23 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 119.53 -1.319 . . . . 0.0 113.323 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.6 p -113.51 122.03 46.05 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -115.71 140.01 49.61 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 121.072 0.463 . . . . 0.0 111.023 -177.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -81.61 127.42 32.86 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.486 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.485 ' HB ' ' HB2' ' A' ' 117' ' ' HIS . 24.3 mm -106.22 119.5 55.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.276 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -56.99 -57.39 12.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.366 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -138.88 153.64 48.31 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.152 0.501 . . . . 0.0 111.714 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.38 115.56 29.52 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.01 -177.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -116.37 34.13 5.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.26 -146.77 20.44 Favored Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 -176.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.462 ' HB ' HE22 ' A' ' 41' ' ' GLN . 3.1 p -74.4 -0.62 17.89 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.239 0.542 . . . . 0.0 111.467 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -57.86 -45.66 85.99 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -66.21 -42.51 88.66 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.699 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.412 HG23 ' CD1' ' A' ' 108' ' ' ILE . 2.5 p -61.75 -54.24 45.19 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.085 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.462 HE22 ' HB ' ' A' ' 37' ' ' THR . 0.7 OUTLIER -66.32 -29.57 69.81 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.428 -179.684 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.22 -62.58 1.73 Allowed 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.338 0.59 . . . . 0.0 109.878 176.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.17 -51.47 68.91 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.042 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.1 t -54.85 -52.81 61.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.681 -177.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.48 -38.86 91.48 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 121.144 -0.223 . . . . 0.0 111.404 -177.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -62.99 -50.39 70.93 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -71.86 -33.66 68.6 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.332 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 101' ' ' ASP . 1.0 OUTLIER -63.47 -44.95 92.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.179 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.46 -27.57 65.35 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.13 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -69.28 -44.86 70.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.644 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.2 p -73.92 -23.91 59.61 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.005 0.431 . . . . 0.0 110.721 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -76.84 -31.83 57.13 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 176.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -64.37 164.7 10.86 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.137 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.1 m -78.49 69.93 4.76 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.453 0.644 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.59 ' OG1' ' HB3' ' A' ' 58' ' ' MET . 7.8 p -107.49 117.75 34.91 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.34 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' HB2' ' OE1' ' A' ' 57' ' ' GLN . 6.1 mm-40 -74.79 -23.44 58.5 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.997 0.427 . . . . 0.0 110.923 -178.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.421 ' OE1' ' HB2' ' A' ' 56' ' ' GLU . 1.4 mp0 -95.07 -7.38 39.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.392 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.59 ' HB3' ' OG1' ' A' ' 55' ' ' THR . 30.2 tpp -119.7 49.23 1.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.264 0.554 . . . . 0.0 111.036 -176.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.51 ' HD2' ' O ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -137.46 145.62 43.32 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.087 179.119 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? 62.05 94.65 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.094 0.558 . . . . 0.0 111.888 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.535 HG23 ' HB1' ' A' ' 24' ' ' ALA . 2.8 m -104.1 144.47 28.76 Favored Pre-proline 0 C--N 1.314 -0.938 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.456 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.56 155.07 64.04 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.064 2.509 . . . . 0.0 113.58 -177.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.2 m -77.77 147.32 35.37 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.479 -178.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.647 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -144.82 139.16 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.103 -179.247 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.4 mp -83.15 110.35 18.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.065 0.459 . . . . 0.0 111.221 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -84.72 92.91 8.32 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 174.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.8 t -98.03 99.51 10.79 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 121.671 0.748 . . . . 0.0 110.37 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 p -99.84 121.37 50.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 114.843 -1.072 . . . . 0.0 111.56 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.577 ' HB3' ' O ' ' A' ' 72' ' ' GLY . 32.4 t -128.22 150.52 49.99 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.556 177.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.67 -12.63 60.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.979 0.418 . . . . 0.0 110.784 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.437 ' HD3' ' N ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -110.77 11.18 22.59 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 179.311 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.577 ' O ' ' HB3' ' A' ' 69' ' ' SER . . . 148.09 139.77 3.25 Favored Glycine 0 C--O 1.223 -0.578 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.687 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.3 t -111.56 124.24 68.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-O 121.031 0.444 . . . . 0.0 109.912 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.472 ' HE2' HD11 ' A' ' 76' ' ' ILE . 21.4 ptmt -121.86 147.27 46.2 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.438 -177.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.647 ' HB3' HD11 ' A' ' 64' ' ' ILE . 3.4 m-85 -124.94 121.65 35.07 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.74 -177.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.472 HD11 ' HE2' ' A' ' 74' ' ' LYS . 2.4 mp -128.29 143.21 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.392 -178.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.3 145.18 42.02 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.089 0.471 . . . . 0.0 111.058 178.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.77 -24.06 19.53 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -177.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.1 p -75.97 -52.92 9.22 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -174.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -116.32 3.24 13.34 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.428 -0.17 . . . . 0.0 111.085 -176.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt 67.12 32.82 5.95 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.976 0.893 . . . . 0.0 109.143 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -76.95 125.61 29.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.049 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.686 ' H ' HD13 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -75.81 123.6 32.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-O 121.003 0.43 . . . . 0.0 110.438 179.012 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.459 ' HB ' ' O ' ' A' ' 75' ' ' PHE . 1.8 mp -82.52 -58.99 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 175.13 166.61 0.3 Allowed 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.041 0.448 . . . . 0.0 111.62 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.86 129.57 36.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.35 175.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -136.42 148.1 47.6 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -71.36 148.22 47.23 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.238 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.5 tp -60.45 -34.48 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.282 0.563 . . . . 0.0 110.598 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -64.44 -13.98 54.44 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.019 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.578 ' ND2' ' HB ' ' A' ' 109' ' ' THR . 9.6 t30 -91.84 -16.47 26.7 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.484 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.1 mt -78.49 105.02 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.9 t -75.31 -29.62 60.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.257 -174.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.0 t -154.66 140.2 17.87 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.032 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.53 106.23 8.38 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.36 -174.06 3.29 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.823 0.344 . . . . 0.0 110.923 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 5.0 pm0 -146.63 177.93 8.69 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.159 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.448 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 14.2 t70 -70.26 139.61 87.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -57.47 -35.31 98.86 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.912 2.408 . . . . 0.0 113.518 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -114.49 -28.11 7.3 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 10.4 t70 -96.51 99.92 11.54 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.156 0.503 . . . . 0.0 110.491 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.5 mt -81.04 15.12 1.96 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.462 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.8 t -115.15 4.92 14.7 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.2 m -125.94 126.06 43.76 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.883 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 122' ' ' PHE . 43.1 p90 -125.91 152.72 45.22 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.151 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -143.73 122.23 12.45 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.476 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 49.1 p90 -114.16 146.24 40.6 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.328 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.412 ' CD1' HG23 ' A' ' 40' ' ' THR . 52.3 mt -115.13 127.93 72.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.794 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.578 ' HB ' ' ND2' ' A' ' 91' ' ' ASN . 80.9 p -108.13 144.04 36.08 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.086 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -114.54 70.64 0.74 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.618 0.723 . . . . 0.0 109.459 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.445 ' HA ' ' OD1' ' A' ' 91' ' ' ASN . 6.9 m-20 -72.64 127.45 32.6 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.326 -179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.46 -20.95 64.65 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.274 0.559 . . . . 0.0 109.654 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -75.34 -23.72 57.25 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.088 176.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.3 t -97.04 -41.31 8.43 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.972 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 40.5 t30 72.94 -46.26 0.64 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.608 0.763 . . . . 0.0 110.355 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -82.54 145.17 29.9 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.681 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.485 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 52.4 m80 -71.42 129.01 37.74 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 -178.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.1 119.98 38.26 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.864 0.364 . . . . 0.0 111.262 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 49.4 t -107.35 119.4 39.29 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 44.2 m-70 -106.99 116.71 32.4 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.393 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.445 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.1 p -106.31 132.76 52.66 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 CA-C-O 121.255 0.55 . . . . 0.0 110.831 -178.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 65.9 m-85 -129.92 141.83 50.73 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.889 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 81.7 p -103.07 118.13 36.11 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.56 161.37 26.0 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.408 ' CE1' ' HB2' ' A' ' 24' ' ' ALA . 30.5 m-85 -90.71 -2.69 57.81 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 120.762 0.315 . . . . 0.0 110.69 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -155.57 148.0 23.87 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.487 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 66.0 t -61.26 -41.59 90.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.026 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 132' ' ' GLU . 3.5 t-20 -65.73 -41.4 92.28 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.488 ' O ' HG13 ' A' ' 133' ' ' ILE . 2.0 tm? -57.19 -49.21 76.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.988 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.08 -49.02 73.91 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.319 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.93 86.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 7.8 tp10 -63.27 -42.5 99.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.74 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 129' ' ' LEU . 60.8 mt -61.7 -48.28 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.165 177.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 27.1 mm -56.02 -45.35 80.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.36 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 139' ' ' GLN . 10.1 tt -63.1 -49.48 74.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.464 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 16.8 m -61.49 -42.81 99.36 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.016 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 88.7 mt -59.6 -45.76 90.94 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.715 0.293 . . . . 0.0 110.348 177.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.21 -46.74 93.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.016 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 14.0 mm100 -60.28 -45.5 93.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.312 . . . . 0.0 110.679 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.92 -37.64 86.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.465 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -70.01 -47.02 63.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.176 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -74.1 -29.04 61.65 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -177.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.9 p -69.22 -26.95 32.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 120.186 -0.606 . . . . 0.0 110.023 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -91.43 -13.04 33.03 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.946 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -81.42 -36.94 28.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.001 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 . . . . . 0 C--O 1.254 1.305 0 CA-C-O 118.677 -0.678 . . . . 0.0 110.351 179.38 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 120.868 0.366 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.482 ' HG3' HG23 ' A' ' 15' ' ' ILE . 38.7 tptt -104.9 141.83 35.84 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.489 ' H ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -115.34 26.85 9.77 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -175.636 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.483 ' H ' HD13 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -62.56 -25.14 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -102.58 -19.31 14.89 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.316 0.579 . . . . 0.0 110.126 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -86.5 -15.49 39.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.301 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.7 p -90.98 136.97 32.72 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.707 177.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.769 ' HB3' HG13 ' A' ' 68' ' ' VAL . 41.9 t -89.75 96.48 10.71 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.621 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.75 99.77 8.65 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.216 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.416 ' HE2' ' HG ' ' A' ' 19' ' ' CYS . 87.6 m-85 -140.77 178.35 7.4 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.54 106.46 17.16 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 120.99 0.424 . . . . 0.0 110.975 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.52 177.34 5.97 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.572 ' HB3' HG23 ' A' ' 123' ' ' THR . . . -116.5 124.41 49.83 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.075 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.577 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 13.8 t80 -78.79 105.45 10.1 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.804 -177.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.425 ' HB3' HG13 ' A' ' 121' ' ' VAL . 33.1 tp -88.1 -52.79 5.05 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.632 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.62 163.04 22.99 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 119.215 -1.469 . . . . 0.0 114.199 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -114.69 109.03 17.59 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -116.92 132.69 56.64 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.803 0.335 . . . . 0.0 111.838 -176.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 116' ' ' HIS . 21.7 tp -80.72 129.74 34.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.529 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.404 HG21 ' HB3' ' A' ' 39' ' ' SER . 18.7 mm -109.37 142.42 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.531 -178.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.47 -54.44 28.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.532 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -135.56 138.72 43.29 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.05 0.452 . . . . 0.0 110.3 178.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.2 mm? -104.54 101.04 10.71 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.628 -178.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.405 ' HG3' ' HB3' ' A' ' 38' ' ' GLU . 14.6 ptp180 -111.76 88.07 2.71 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.868 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.17 -142.26 45.84 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.596 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.6 t -91.09 2.89 55.99 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.192 0.52 . . . . 0.0 110.632 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' HB3' ' HG3' ' A' ' 35' ' ' ARG . 8.2 tp10 -65.62 -45.38 83.32 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.404 ' HB3' HG21 ' A' ' 31' ' ' ILE . 25.1 m -66.59 -39.38 88.38 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.208 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.3 p -66.46 -43.42 85.56 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.016 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -67.93 -34.39 76.52 Favored 'General case' 0 CA--C 1.523 -0.094 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -57.47 -55.26 37.11 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.785 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 46' ' ' LYS . . . -65.05 -42.03 94.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.684 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.0 t -54.23 -55.19 30.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.525 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.49 78.91 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.858 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 43' ' ' ALA . 62.3 tttp -54.22 -60.03 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.753 178.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -76.14 -29.16 57.68 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.41 HH12 ' CG ' ' A' ' 98' ' ' ASP . 53.1 ttp180 -68.43 -25.86 65.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.976 0.417 . . . . 0.0 110.578 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.35 -31.66 14.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.005 0.431 . . . . 0.0 110.496 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -85.91 -4.73 59.24 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.258 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.515 ' HB2' ' HG2' ' A' ' 58' ' ' MET . 31.8 p -51.94 -30.17 23.44 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -178.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -65.95 -13.49 59.86 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.95 85.61 1.1 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.994 0.426 . . . . 0.0 111.08 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.6 t -153.23 98.23 2.25 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.9 m 68.55 -76.52 0.06 Allowed 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -113.72 173.21 6.53 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -64.16 124.12 20.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 173.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.773 ' SD ' HG12 ' A' ' 61' ' ' VAL . 21.5 tpp -76.57 -84.95 0.06 Allowed 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -171.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm 63.12 -78.16 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 122.981 0.512 . . . . 0.0 111.481 -176.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.586 ' O ' HG22 ' A' ' 61' ' ' VAL . 20.6 ttmm -137.52 15.74 2.94 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.829 0.347 . . . . 0.0 110.138 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.773 HG12 ' SD ' ' A' ' 58' ' ' MET . 1.5 m 59.07 170.99 0.06 OUTLIER Pre-proline 0 N--CA 1.493 1.699 0 C-N-CA 124.615 1.166 . . . . 0.0 112.103 176.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.645 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 36.6 Cg_endo -69.63 146.71 61.85 Favored 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 121.648 1.566 . . . . 0.0 112.051 177.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.7 m -88.71 133.82 34.1 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.212 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -123.71 123.22 66.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.12 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.428 HG13 ' HB2' ' A' ' 78' ' ' ALA . 45.6 mt -70.61 107.2 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.34 104.39 16.95 Favored 'General case' 0 N--CA 1.424 -1.745 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.267 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -108.18 89.69 3.07 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.32 0.581 . . . . 0.0 109.814 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.769 HG13 ' HB3' ' A' ' 19' ' ' CYS . 5.5 p -104.3 118.62 51.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-O 121.496 0.665 . . . . 0.0 111.54 -178.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.8 t -123.67 163.63 20.7 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.364 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.08 116.68 4.36 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.741 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.434 ' HA ' ' HB ' ' A' ' 89' ' ' ILE . 98.5 mttt 72.97 10.74 5.31 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.832 178.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.78 117.33 0.77 Allowed Glycine 0 CA--C 1.511 -0.176 0 C-N-CA 119.832 -1.175 . . . . 0.0 112.66 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.514 HG22 HG23 ' A' ' 68' ' ' VAL . 12.5 t -119.95 130.71 73.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.242 0.544 . . . . 0.0 111.458 -178.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.445 ' HD2' HD11 ' A' ' 76' ' ' ILE . 20.7 ttmm -122.16 132.21 54.34 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.884 -178.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.453 ' HB3' HD11 ' A' ' 64' ' ' ILE . 6.9 m-85 -121.23 112.16 18.29 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.486 ' O ' HG12 ' A' ' 64' ' ' ILE . 2.0 mp -117.12 143.84 26.4 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.311 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.543 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 6.5 t70 -80.35 134.19 36.01 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.428 ' HB2' HG13 ' A' ' 65' ' ' ILE . . . -93.09 -15.71 25.77 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.147 0.499 . . . . 0.0 110.532 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -70.16 -52.84 20.33 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.951 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 25.2 t-20 -119.72 -3.92 10.27 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.926 -177.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 28.2 mtpp 72.83 35.72 0.99 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.299 0.64 . . . . 0.0 110.869 -177.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -81.25 127.39 32.65 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.597 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.0 mp -74.96 99.69 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 175.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.497 HD11 ' HB2' ' A' ' 77' ' ' ASP . 77.4 mt -73.25 -59.26 3.55 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.671 -175.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -163.14 157.21 20.3 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.106 -0.637 . . . . 0.0 112.089 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -149.73 124.1 9.61 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -146.6 158.62 43.93 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.04 0.447 . . . . 0.0 111.751 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.63 167.06 22.5 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.241 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.435 HG12 ' HA ' ' A' ' 141' ' ' PHE . 9.7 tp -59.59 -31.17 46.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -176.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -15.58 62.31 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -78.25 -20.34 51.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.311 0.577 . . . . 0.0 109.791 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.7 mt -98.63 125.91 51.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 28.5 p -99.17 -30.76 12.1 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.548 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 35.8 t -153.97 158.07 40.1 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.123 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.87 116.1 7.96 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.29 133.87 35.48 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.393 -0.523 . . . . 0.0 112.052 -177.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.426 ' HB3' HG13 ' A' ' 134' ' ' ILE . 13.1 pt20 -85.37 151.97 23.61 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.516 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 20.9 t70 -65.65 122.42 80.44 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.625 0.25 . . . . 0.0 110.543 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 52.0 Cg_exo -54.05 -45.26 42.31 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 123.275 2.65 . . . . 0.0 114.256 -177.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -84.13 -38.67 20.42 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -175.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 19.4 t70 -121.63 104.04 9.33 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.026 0.441 . . . . 0.0 110.084 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 71.5 mt -77.62 7.02 6.15 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -175.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.9 m -96.45 10.85 36.98 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.444 0.64 . . . . 0.0 110.462 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 123' ' ' THR . 9.7 t -145.63 148.82 33.51 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.071 178.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.425 ' HB2' HD11 ' A' ' 134' ' ' ILE . 52.2 p90 -148.25 159.98 43.42 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.042 0.449 . . . . 0.0 111.675 -176.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.24 127.83 20.16 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.521 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -112.53 143.9 42.91 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.098 0.475 . . . . 0.0 110.278 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.6 mt -96.65 126.47 49.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.142 -178.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.14 145.9 48.99 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.03 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -94.87 94.81 8.26 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -72.8 97.53 2.24 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.498 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.428 HD23 ' H ' ' A' ' 112' ' ' LEU . 2.4 pt? -62.98 -13.26 32.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.569 -0.742 . . . . 0.0 112.241 -177.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -82.39 -25.94 33.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.783 0.325 . . . . 0.0 110.685 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.5 p -115.28 -8.08 12.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.15 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.1 t30 62.79 27.44 16.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.454 0.702 . . . . 0.0 110.729 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.554 ' HB3' HD11 ' A' ' 30' ' ' LEU . 64.2 m80 -135.76 165.69 25.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -95.7 117.46 30.54 Favored 'General case' 0 C--O 1.254 1.291 0 CA-C-O 121.906 0.86 . . . . 0.0 112.178 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 30' ' ' LEU . 16.2 m-85 -102.67 132.87 48.5 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 114.68 -1.145 . . . . 0.0 110.959 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 49.9 t -92.61 105.83 17.92 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -93.57 108.16 19.91 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.425 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.3 p -101.42 132.55 47.02 Favored 'Isoleucine or valine' 0 C--O 1.25 1.087 0 CA-C-O 121.393 0.616 . . . . 0.0 111.893 -176.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.577 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 10.7 m-85 -129.98 146.53 51.67 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.642 178.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.572 HG23 ' HB3' ' A' ' 24' ' ' ALA . 3.0 t -112.76 164.5 13.3 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 175.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -122.34 164.12 18.51 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.265 0.555 . . . . 0.0 112.138 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -85.06 -16.51 40.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.278 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -143.65 139.32 29.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.759 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 8.0 p -62.51 -39.8 85.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -177.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 132' ' ' GLU . 9.4 t30 -71.06 -35.03 71.75 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.92 -41.64 96.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.441 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.21 -52.27 65.51 Favored 'General case' 0 C--O 1.249 1.073 0 CA-C-O 121.127 0.489 . . . . 0.0 110.177 177.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.09 -31.78 73.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.251 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 1.3 tp10 -65.26 -45.45 84.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.227 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.29 -47.8 91.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.406 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.426 HG13 ' HB3' ' A' ' 97' ' ' GLN . 21.7 mm -60.0 -42.64 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 120.859 0.362 . . . . 0.0 110.753 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.25 -44.07 97.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.303 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 25.0 m -64.67 -40.55 95.59 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.559 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 77.2 mt -60.29 -47.03 87.76 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.287 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.51 -46.32 94.13 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.004 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -60.47 -43.31 97.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.003 0.43 . . . . 0.0 110.473 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.61 -29.64 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.078 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.435 ' HA ' HG12 ' A' ' 89' ' ' ILE . 78.3 t80 -77.61 -45.33 25.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.168 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.65 ' HA ' ' CE2' ' A' ' 145' ' ' TYR . 14.5 pt-20 -70.11 -37.52 75.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.768 -177.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.4 p -67.57 -4.74 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 121.035 0.445 . . . . 0.0 111.402 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -82.66 -26.47 32.1 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.367 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.65 ' CE2' ' HA ' ' A' ' 142' ' ' GLU . 42.9 p90 -115.07 -19.66 10.79 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLN . . . . . 0.599 ' HG3' ' O ' ' A' ' 142' ' ' GLU . 4.7 pp0? . . . . . 0 C--O 1.247 0.955 0 CA-C-O 119.07 -0.49 . . . . 0.0 110.625 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -83.45 135.89 34.51 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 15' ' ' ILE . 3.8 pp -61.0 -23.63 65.53 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -175.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 14' ' ' LEU . 12.8 tt -57.17 -17.78 6.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 121.032 0.444 . . . . 0.0 111.93 -179.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.98 -25.75 61.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.938 0.399 . . . . 0.0 111.17 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -132.9 3.68 3.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.606 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.567 ' OG ' ' HB2' ' A' ' 69' ' ' SER . 1.3 m -136.53 155.84 49.4 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.15 -178.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.0 t -109.59 142.1 41.16 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -102.45 109.91 21.7 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.43 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.449 ' CD2' HG12 ' A' ' 133' ' ' ILE . 69.5 m-85 -118.67 138.39 52.65 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 122.339 -0.225 . . . . 0.0 111.253 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -101.38 114.42 28.39 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.45 172.82 8.42 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.847 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.539 ' HB3' HG23 ' A' ' 123' ' ' THR . . . -97.81 122.13 40.55 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.481 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 1.0 OUTLIER -74.05 93.51 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.619 -177.681 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.1 tp -73.33 -55.61 6.17 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.04 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.46 160.0 21.07 Favored Glycine 0 N--CA 1.44 -1.091 0 C-N-CA 119.535 -1.316 . . . . 0.0 113.549 176.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.2 m -120.18 98.32 6.01 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -97.34 139.54 33.13 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.492 -173.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.417 HD13 ' CE2' ' A' ' 118' ' ' TYR . 20.1 tp -88.45 119.94 29.35 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.452 -177.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.466 HD11 ' SG ' ' A' ' 119' ' ' CYS . 22.0 mm -102.09 143.8 14.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.926 -177.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -83.96 -64.82 1.09 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.553 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -112.23 133.64 54.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.77 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -92.29 132.44 36.7 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.398 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -146.5 84.77 1.63 Allowed 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.382 0.61 . . . . 0.0 110.826 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 55.44 -142.08 37.29 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.056 -0.975 . . . . 0.0 112.894 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -90.12 4.56 50.03 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.785 0.326 . . . . 0.0 110.685 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -69.99 -36.26 75.03 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 m -63.8 -45.99 87.2 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.184 0.516 . . . . 0.0 110.391 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.7 p -67.31 -38.43 84.93 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.786 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -69.57 -37.88 77.17 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.283 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 18.2 t70 -56.63 -50.15 72.88 Favored 'General case' 0 C--O 1.25 1.113 0 CA-C-O 121.434 0.635 . . . . 0.0 109.291 176.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.03 65.67 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.799 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.3 t -55.83 -45.82 78.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.954 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.87 -47.52 84.64 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.996 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 2.3 ptpp? -66.43 -48.17 70.87 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.133 -0.627 . . . . 0.0 112.354 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -69.09 -33.05 72.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.863 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.415 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 17.9 ttm180 -62.99 -45.61 91.61 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -63.68 -37.27 86.7 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.851 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.548 ' HB3' ' SD ' ' A' ' 58' ' ' MET . 5.2 m-20 -69.32 -41.5 76.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.318 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.54 -38.51 87.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.806 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 14.3 pt20 -90.0 16.86 7.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.261 0.553 . . . . 0.0 110.394 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 23.2 ttmm -124.29 24.85 7.93 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.8 t -53.76 113.98 1.39 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.27 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.9 m -116.62 -72.9 0.67 Allowed 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.611 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -95.67 -40.17 9.53 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -133.84 -160.78 1.08 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.35 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.548 ' SD ' ' HB3' ' A' ' 50' ' ' ASN . 62.9 mtm 63.41 27.13 15.17 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.14 0.495 . . . . 0.0 110.43 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -69.25 -70.88 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.005 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -141.66 119.4 11.8 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.449 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.463 HG23 ' HB1' ' A' ' 24' ' ' ALA . 33.3 m -69.91 149.16 96.5 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.813 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.45 153.79 76.69 Favored 'Trans proline' 0 C--O 1.243 0.732 0 C-N-CA 122.633 2.222 . . . . 0.0 112.667 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.6 m -81.15 132.56 35.36 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.506 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.545 HD11 ' HB3' ' A' ' 75' ' ' PHE . 1.3 tt -116.83 142.83 28.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.17 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.448 HG13 ' HB2' ' A' ' 78' ' ' ALA . 54.2 mt -95.52 100.92 11.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 CA-C-O 121.574 0.702 . . . . 0.0 109.519 176.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.4 mt -81.08 101.31 9.52 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.675 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.498 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 5.5 m -93.41 105.55 17.6 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.2 p -110.88 126.7 68.26 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.567 ' HB2' ' OG ' ' A' ' 18' ' ' SER . 42.1 t -129.6 153.21 48.29 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.792 178.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.32 -12.27 60.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.953 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -104.84 -7.23 19.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.326 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.06 172.28 32.32 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 119.73 -1.224 . . . . 0.0 112.635 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.6 m -128.0 146.04 34.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-O 121.205 0.526 . . . . 0.0 111.434 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.509 ' HD3' ' HB3' ' A' ' 86' ' ' GLU . 5.5 tppt? -132.22 109.59 10.04 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.195 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.545 ' HB3' HD11 ' A' ' 64' ' ' ILE . 10.5 m-85 -98.22 105.33 17.46 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -178.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.465 HD11 ' HG2' ' A' ' 74' ' ' LYS . 13.0 mt -116.37 142.59 29.27 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.017 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.115 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.622 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 1.2 t70 -78.12 148.89 33.97 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.448 ' HB2' HG13 ' A' ' 65' ' ' ILE . . . -94.69 -19.33 20.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.815 0.34 . . . . 0.0 111.743 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 m -71.08 -56.57 5.85 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.173 0.511 . . . . 0.0 111.689 -176.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 51.4 t30 -113.97 -6.2 13.16 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.967 -177.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.622 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 14.1 mptt 70.7 33.59 2.26 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.815 -176.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -70.04 127.53 33.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.725 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.5 mp -77.43 95.34 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.492 HD11 ' HB2' ' A' ' 77' ' ' ASP . 59.7 mt -70.14 -56.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 114.92 -1.037 . . . . 0.0 111.062 -176.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -165.72 142.98 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.586 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.509 ' HB3' ' HD3' ' A' ' 74' ' ' LYS . 13.5 pt-20 -136.59 136.72 39.47 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -144.05 164.27 31.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.432 -177.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -75.24 163.67 27.26 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.55 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.5 tp -62.46 -29.8 47.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.402 0.62 . . . . 0.0 109.562 177.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 90' ' ' ARG . 42.8 mtm180 -64.82 -12.97 54.04 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.521 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.421 ' OD1' ' HB ' ' A' ' 109' ' ' THR . 0.0 OUTLIER -84.75 -23.45 29.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.71 0.29 . . . . 0.0 110.894 -179.576 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 mt -79.03 126.8 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -106.41 -33.88 7.59 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.726 -176.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 38.8 t -158.14 163.02 37.99 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.755 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.17 116.32 10.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.962 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.07 176.67 7.18 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.777 0.322 . . . . 0.0 110.674 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.514 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 13.9 pt20 -142.43 174.63 10.45 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.202 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.43 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 12.9 t70 -87.44 133.2 38.85 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.01 -41.35 7.66 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.889 2.393 . . . . 0.0 113.627 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.31 -40.38 14.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.785 0.326 . . . . 0.0 111.546 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 10.7 t70 -103.91 93.97 5.16 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.29 0.567 . . . . 0.0 109.546 178.087 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.4 mt -71.1 -2.6 16.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.88 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t -100.69 9.28 42.64 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-O 121.028 0.442 . . . . 0.0 109.991 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 123' ' ' THR . 63.6 m -129.91 139.24 51.17 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.931 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.514 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 42.8 p90 -140.4 163.88 31.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.905 0.384 . . . . 0.0 111.93 -177.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 120' ' ' HIS . . . -151.47 117.72 5.61 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.684 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -112.59 145.33 40.54 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.051 0.453 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 69.3 mt -93.2 123.88 45.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.363 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.421 ' HB ' ' OD1' ' A' ' 91' ' ' ASN . 2.4 p -123.82 147.48 47.55 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 114.843 -1.072 . . . . 0.0 109.454 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.437 ' HD2' ' O ' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -130.74 126.0 35.3 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 121.281 0.563 . . . . 0.0 112.352 -179.371 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -111.78 118.27 35.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.573 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.84 -27.32 68.69 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.972 -176.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -77.12 -17.02 58.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.396 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 115' ' ' ASN . 50.7 m -101.7 -7.3 22.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' A' ' 114' ' ' SER . 28.3 t30 72.63 -58.73 0.59 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.902 0.481 . . . . 0.0 112.167 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -83.41 174.43 10.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.083 0.468 . . . . 0.0 111.578 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -105.08 140.37 38.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.401 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.417 ' CE2' HD13 ' A' ' 30' ' ' LEU . 96.0 m-85 -102.58 129.34 49.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.909 -178.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.466 ' SG ' HD11 ' A' ' 31' ' ' ILE . 27.0 p -98.24 112.75 24.63 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' A' ' 106' ' ' ALA . 19.8 m80 -89.97 104.12 16.72 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.187 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.8 p -104.26 121.0 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 CA-C-O 121.787 0.804 . . . . 0.0 110.478 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.481 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 94.0 m-85 -129.57 140.92 51.08 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.66 -179.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.539 HG23 ' HB3' ' A' ' 24' ' ' ALA . 3.5 t -111.8 128.59 56.15 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.318 0.58 . . . . 0.0 109.819 178.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.21 161.21 15.16 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.365 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -87.14 -13.02 45.28 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.373 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -139.56 142.61 37.16 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.291 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.69 -40.6 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.398 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -62.87 -39.78 95.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.426 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -61.97 -46.24 90.12 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.07 90.58 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.352 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.55 -41.15 98.45 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.015 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -59.14 -45.04 91.99 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.949 0.404 . . . . 0.0 110.944 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.449 HG12 ' CD2' ' A' ' 21' ' ' TYR . 52.8 mt -62.47 -48.12 89.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.644 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.426 HD11 ' HB2' ' A' ' 105' ' ' PHE . 43.4 mm -62.45 -40.42 88.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.612 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.16 -48.59 81.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.997 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 24.8 m -64.51 -44.04 92.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.001 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.02 -46.37 91.0 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.863 0.363 . . . . 0.0 110.779 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.72 -41.16 99.87 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.947 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -67.34 -41.82 84.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.792 0.33 . . . . 0.0 110.562 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.19 -47.83 84.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.758 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -66.55 -37.43 84.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.055 0.455 . . . . 0.0 110.484 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.25 -49.5 71.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.922 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.68 -18.69 21.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.953 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -71.49 -32.77 68.63 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.925 0.393 . . . . 0.0 110.715 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -91.48 -23.52 19.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.365 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.128 -179.716 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 pptp? -161.34 130.66 4.67 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.174 178.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.2 mt -140.14 149.72 43.36 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.474 ' HA ' ' O ' ' A' ' 18' ' ' SER . 58.6 mt -66.03 88.92 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-O 121.36 0.6 . . . . 0.0 110.221 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 172.81 -45.74 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 125.051 1.341 . . . . 0.0 107.833 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -105.85 -18.12 14.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.35 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.474 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 57.8 p -138.78 146.33 41.23 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.832 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.9 t -118.48 131.23 56.26 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -106.97 129.85 54.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -136.71 157.48 46.66 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.378 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -107.92 106.48 16.76 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.76 168.24 9.56 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.614 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -106.66 121.05 43.57 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.005 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.437 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -68.52 101.73 1.32 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -177.857 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.2 tp -84.73 -55.24 4.21 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.002 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.71 165.24 37.61 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 119.272 -1.442 . . . . 0.0 114.012 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.2 p -132.39 110.61 10.67 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 176.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -103.82 139.76 38.58 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.562 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.443 HD23 ' CZ ' ' A' ' 118' ' ' TYR . 2.5 tm? -84.87 125.62 32.78 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.382 177.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.513 HG21 ' HB3' ' A' ' 34' ' ' LEU . 14.7 mm -104.84 121.18 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.561 179.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -64.35 -54.62 30.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.008 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -140.25 134.47 31.11 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.234 -0.894 . . . . 0.0 108.879 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.513 ' HB3' HG21 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -133.45 148.86 51.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -174.575 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.3 mtp85 -141.72 108.32 5.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.026 176.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.22 -129.11 25.86 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.186 -0.53 . . . . 0.0 113.712 177.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 t -105.87 8.58 32.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.929 0.395 . . . . 0.0 111.595 -176.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.3 -47.7 81.19 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.68 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 m -69.3 -37.06 77.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.131 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.512 HG23 HD11 ' A' ' 108' ' ' ILE . 7.3 p -64.08 -49.22 73.12 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 110.36 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.66 -33.45 74.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.641 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -59.02 -50.76 72.88 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.004 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.04 -51.67 67.05 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.853 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.6 m -51.93 -51.23 58.43 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.394 0.433 . . . . 0.0 111.712 -178.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.09 -55.62 20.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.975 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -62.6 -42.47 99.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.975 0.417 . . . . 0.0 111.424 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.5 ttp -64.67 -45.3 87.3 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.687 -178.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -67.18 -32.92 74.33 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 119.775 -0.77 . . . . 0.0 110.34 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.74 -34.21 77.34 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-O 121.17 0.51 . . . . 0.0 110.234 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -76.75 -41.47 44.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.212 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.5 t -64.93 -45.23 86.7 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.61 -178.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.74 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 3.4 pt20 -66.29 118.28 9.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.49 0.662 . . . . 0.0 110.391 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -164.3 171.62 14.62 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -176.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.8 m -91.26 25.58 2.49 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.358 0.599 . . . . 0.0 109.687 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.1 m -99.86 -78.68 0.5 Allowed 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.346 -175.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -94.29 -176.77 4.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.56 -175.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -99.59 89.29 4.09 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.74 ' SD ' ' HA ' ' A' ' 52' ' ' GLN . 0.1 OUTLIER -61.48 157.5 16.9 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.396 -178.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? 75.91 -37.55 0.32 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.807 0.843 . . . . 0.0 110.723 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -83.78 81.18 8.87 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.614 HG23 ' HB1' ' A' ' 24' ' ' ALA . 20.4 m -125.25 161.85 47.46 Favored Pre-proline 0 C--N 1.309 -1.187 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.075 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.517 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 30.5 Cg_exo -38.39 118.72 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 C-N-CA 123.79 2.993 . . . . 0.0 113.98 -179.072 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.5 m -77.01 132.07 38.77 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.528 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.617 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -128.34 136.2 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.118 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.465 -178.874 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 65.8 mt -84.49 114.31 24.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.491 0.662 . . . . 0.0 111.224 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.485 HD21 ' CD2' ' A' ' 122' ' ' PHE . 1.5 mm? -84.76 103.93 14.28 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.54 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.494 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 20.1 m -105.28 99.79 9.39 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 176.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.3 p -103.75 129.71 55.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.062 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 18' ' ' SER . 32.3 t -146.68 153.81 40.71 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.33 -8.78 56.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.261 0.553 . . . . 0.0 109.958 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -98.81 4.78 47.67 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.128 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.44 161.05 9.18 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.637 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.0 m -119.34 138.96 48.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-O 121.164 0.507 . . . . 0.0 110.705 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.494 ' HG3' ' HB2' ' A' ' 67' ' ' SER . 15.0 ptpt -138.47 136.28 36.02 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.477 0.656 . . . . 0.0 110.956 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.617 ' HB3' HD11 ' A' ' 64' ' ' ILE . 11.7 m-85 -117.41 104.75 11.42 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.347 -176.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.3 mp -110.46 147.6 14.53 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.179 -176.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.595 ' HB3' ' H ' ' A' ' 82' ' ' ASN . 12.4 t70 -64.38 149.86 47.47 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.15 -26.59 17.35 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -100.94 -34.84 9.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.051 0.453 . . . . 0.0 111.333 -177.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -100.63 -21.13 15.36 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.151 0.501 . . . . 0.0 110.157 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 24.6 ttpp 63.75 29.91 14.76 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.319 -179.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.595 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 26.2 t-20 -79.49 134.07 36.51 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.364 178.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.3 tp -72.02 95.08 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.92 0.867 . . . . 0.0 109.815 176.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.6 mt -72.75 -55.32 13.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.892 -175.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.85 142.07 19.44 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.696 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -142.78 142.96 31.99 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.086 0.47 . . . . 0.0 110.389 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -150.82 163.54 38.38 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.71 155.13 40.82 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 6.1 tp -60.22 -36.01 65.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-O 121.141 0.496 . . . . 0.0 110.867 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -70.21 -8.76 52.52 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.089 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 27.9 t-20 -78.23 -21.66 49.61 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.968 0.414 . . . . 0.0 110.121 178.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.7 mt -76.44 116.79 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.2 p -89.68 -28.53 19.39 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.292 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.447 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 46.9 t -151.97 150.16 29.69 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.944 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.59 122.33 19.85 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -153.34 -169.2 3.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.923 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -154.71 178.96 9.53 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.755 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.598 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 12.5 t70 -70.8 142.53 88.35 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.653 -179.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 15.7 Cg_exo -68.63 -28.52 31.15 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.817 2.344 . . . . 0.0 113.984 -179.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.49 ' HG2' ' OD1' ' A' ' 98' ' ' ASP . 14.4 pt-20 -105.35 -34.96 7.68 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.136 -177.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.598 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 14.3 t70 -111.96 100.78 9.16 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.259 -179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.0 mp -81.25 10.9 4.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.366 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.414 ' HB2' HG22 ' A' ' 127' ' ' VAL . 8.0 t -95.09 -11.93 27.41 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 177.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.3 m -105.14 117.94 35.27 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.619 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.422 ' HB2' HD11 ' A' ' 134' ' ' ILE . 38.4 p90 -112.18 144.47 41.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.812 0.339 . . . . 0.0 110.952 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.436 ' HB1' ' SG ' ' A' ' 119' ' ' CYS . . . -135.15 120.58 19.16 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 -177.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 44.9 p90 -114.82 143.01 45.78 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 120.895 0.378 . . . . 0.0 110.235 178.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.512 HD11 HG23 ' A' ' 40' ' ' THR . 70.7 mt -108.74 121.0 61.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.554 -179.174 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 12.1 p -108.85 159.92 16.4 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.164 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 91' ' ' ASN . 22.4 pttp -104.33 113.8 27.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.029 0.442 . . . . 0.0 111.182 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -101.42 96.2 6.99 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.954 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 29.1 tp -66.22 -12.02 53.58 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.666 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -65.31 -33.33 75.72 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.4 p -113.19 -9.75 13.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.249 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 64.1 t30 64.54 31.31 12.44 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.745 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -131.5 177.29 7.61 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.268 177.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.478 ' HB3' ' CG2' ' A' ' 108' ' ' ILE . 29.8 m-70 -112.58 134.14 54.26 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.818 0.342 . . . . 0.0 110.304 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.443 ' CZ ' HD23 ' A' ' 30' ' ' LEU . 55.2 m-85 -111.81 134.01 53.65 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.707 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.436 ' SG ' ' HB1' ' A' ' 106' ' ' ALA . 52.4 t -101.17 102.88 13.89 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.195 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 77.7 m-70 -93.07 109.6 21.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.4 p -116.41 129.94 72.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 CA-C-O 121.306 0.574 . . . . 0.0 111.599 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.485 ' CD2' HD21 ' A' ' 66' ' ' LEU . 8.3 m-85 -126.11 154.54 42.96 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.996 -178.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 39.9 p -101.66 117.42 34.86 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.376 178.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.408 ' HB1' HD22 ' A' ' 129' ' ' LEU . . . -79.15 154.63 29.17 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -83.8 -8.33 59.25 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.038 0.447 . . . . 0.0 110.173 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -142.06 135.93 29.66 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.73 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.414 HG22 ' HB2' ' A' ' 103' ' ' SER . 96.7 t -62.82 -47.64 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.555 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -60.32 -38.24 83.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.041 0.448 . . . . 0.0 110.076 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.408 HD22 ' HB1' ' A' ' 124' ' ' ALA . 8.3 tt -58.56 -49.95 75.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.755 177.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.45 99.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.619 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.43 -39.68 91.67 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.845 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.33 -42.97 99.01 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.979 178.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 71.2 mt -58.33 -49.01 83.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.265 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.422 HD11 ' HB2' ' A' ' 105' ' ' PHE . 46.5 mm -59.42 -43.31 90.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.526 178.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.64 -47.37 86.53 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 11.6 m -60.84 -45.44 94.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.613 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.42 -44.92 96.3 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.403 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -63.17 -46.26 93.57 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.201 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -63.47 -44.9 93.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.02 92.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.357 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -67.86 -36.09 79.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.152 0.501 . . . . 0.0 110.152 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -71.83 -46.65 57.37 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.242 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.404 ' HA ' ' CE2' ' A' ' 145' ' ' TYR . 6.7 p -63.59 -8.38 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-O 120.907 0.384 . . . . 0.0 111.825 -176.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.84 -6.71 6.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.523 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.404 ' CE2' ' HA ' ' A' ' 143' ' ' VAL . 22.4 p90 -61.97 -30.96 71.29 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 120.812 0.339 . . . . 0.0 110.483 177.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 . . . . . 0 C--O 1.242 0.698 0 CA-C-O 118.5 -0.762 . . . . 0.0 110.614 -177.962 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 . . . . . 0 N--CA 1.484 1.25 0 CA-C-O 121.326 0.584 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -134.33 132.74 39.88 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.478 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.2 tp 66.34 14.53 9.73 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.678 0.611 . . . . 0.0 110.008 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 18' ' ' SER . 10.9 tp -63.51 -6.11 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.877 -176.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.39 -29.01 26.55 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.982 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -107.87 -28.81 9.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.745 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 87.6 p -114.51 131.65 56.57 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.244 179.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.579 ' HB3' ' CE2' ' A' ' 21' ' ' TYR . 66.5 m -98.58 94.48 6.7 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.159 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.92 103.09 15.84 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.025 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 19' ' ' CYS . 51.7 m-85 -118.44 176.02 5.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.753 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -122.84 127.44 49.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.085 0.469 . . . . 0.0 111.507 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.34 -177.72 3.88 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.758 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -121.65 112.0 17.89 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.015 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.489 ' O ' ' HB ' ' A' ' 61' ' ' VAL . 3.5 t80 -57.76 116.21 3.3 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.455 1.102 . . . . 0.0 111.71 -175.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.421 ' H ' ' HB3' ' A' ' 122' ' ' PHE . 19.0 tp -99.45 -59.07 1.79 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.73 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.66 144.21 8.22 Favored Glycine 0 C--N 1.341 0.834 0 C-N-CA 119.799 -1.191 . . . . 0.0 113.424 177.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.9 p -110.08 113.41 26.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.43 ' HE1' ' SD ' ' A' ' 47' ' ' MET . 1.5 tpp -108.37 145.28 34.74 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.247 -175.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.483 HD13 ' CE2' ' A' ' 118' ' ' TYR . 60.7 tp -105.65 117.09 33.13 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.236 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.483 ' CG2' HD21 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -120.52 176.67 3.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -113.31 -73.41 0.66 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -115.55 125.97 53.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -178.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.483 HD21 ' CG2' ' A' ' 31' ' ' ILE . 29.8 mt -128.87 169.51 14.51 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.733 -173.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -148.74 85.93 1.51 Allowed 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.68 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.71 -157.1 26.15 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.084 -0.579 . . . . 0.0 113.987 175.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.1 t -77.49 -0.62 26.81 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.006 0.431 . . . . 0.0 111.517 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -55.75 -41.11 73.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.984 0.421 . . . . 0.0 110.735 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.448 ' HB2' HD22 ' A' ' 34' ' ' LEU . 28.1 t -69.89 -40.95 75.34 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.703 -178.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.9 p -63.72 -38.73 92.22 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 120.614 -0.434 . . . . 0.0 109.889 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -70.99 -36.03 72.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.13 178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -55.56 -58.76 6.43 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-O 121.353 0.597 . . . . 0.0 109.838 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.12 -49.49 77.06 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.553 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 53.5 t -51.07 -56.25 13.52 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.435 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.51 -41.07 76.06 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.689 -178.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -61.17 -52.95 62.67 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.13 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.43 ' SD ' ' HE1' ' A' ' 29' ' ' MET . 5.0 mpp? -68.4 -25.06 64.86 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.463 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 44' ' ' CYS . 52.4 mtt180 -58.45 -51.42 69.94 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.32 -32.16 72.95 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.17 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -72.26 -44.66 62.49 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.606 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 47.1 t -77.4 -15.33 59.41 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -175.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -83.84 -2.9 57.34 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.028 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -100.91 -178.55 3.79 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -93.27 30.46 1.67 Allowed 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.503 0.668 . . . . 0.0 109.281 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.518 ' HB ' ' SD ' ' A' ' 58' ' ' MET . 6.6 m -56.16 107.53 0.37 Allowed 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.187 -178.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 60.04 25.94 15.23 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 57' ' ' GLN . 34.6 tt0 68.78 21.33 7.77 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.192 0.597 . . . . 0.0 111.046 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.518 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 19.3 ptm -73.73 136.21 43.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.105 0.479 . . . . 0.0 110.52 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -141.36 -31.37 0.58 Allowed 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.921 177.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -132.26 170.63 14.77 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.601 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.758 HG23 ' HB1' ' A' ' 24' ' ' ALA . 1.6 m -121.56 143.96 39.22 Favored Pre-proline 0 C--N 1.303 -1.424 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.731 -178.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -61.91 142.66 93.87 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 123.359 2.706 . . . . 0.0 113.355 -176.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.1 m -76.16 127.23 32.5 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -118.94 130.1 74.22 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.438 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.8 mt -85.15 117.56 30.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.566 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.9 mt -97.21 105.26 17.37 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.315 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.466 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 28.3 t -99.56 99.34 10.2 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.507 HG13 ' HB2' ' A' ' 19' ' ' CYS . 3.1 p -108.55 119.57 58.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.936 -177.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.7 p -127.67 159.62 34.14 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.267 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.92 -0.19 4.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -125.45 8.19 7.73 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 122.374 -0.204 . . . . 0.0 111.543 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 159.17 159.88 10.01 Favored Glycine 0 CA--C 1.51 -0.224 0 C-N-CA 120.062 -1.066 . . . . 0.0 112.759 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 23.8 t -130.46 132.66 64.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-O 121.189 0.519 . . . . 0.0 110.539 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.534 ' HE2' ' OE1' ' A' ' 86' ' ' GLU . 36.3 ttmt -121.22 141.45 50.85 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.21 -177.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.521 ' HB3' HD11 ' A' ' 64' ' ' ILE . 3.8 m-85 -126.9 111.81 14.58 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.199 -177.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.5 mp -122.46 146.41 27.72 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.923 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.443 ' HB3' ' HB3' ' A' ' 82' ' ' ASN . 8.2 t70 -81.23 137.9 35.82 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 176.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.0 1.28 42.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.72 0.295 . . . . 0.0 111.392 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 m -79.83 -53.92 6.33 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.038 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -130.89 7.59 4.74 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.26 0.552 . . . . 0.0 109.966 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? 67.1 85.05 0.15 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.353 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.443 ' HB3' ' HB3' ' A' ' 77' ' ' ASP . 44.3 t30 -128.79 127.13 41.36 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.069 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.424 HD12 ' N ' ' A' ' 83' ' ' ILE . 3.7 mp -78.74 92.18 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 177.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.1 mt -67.83 -50.72 57.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 114.92 -1.037 . . . . 0.0 111.213 -176.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -159.93 154.01 23.3 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.108 0.48 . . . . 0.0 111.895 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.534 ' OE1' ' HE2' ' A' ' 74' ' ' LYS . 38.1 tt0 -145.76 113.06 6.2 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 177.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -135.52 162.97 31.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.15 0.5 . . . . 0.0 112.294 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -72.07 158.54 35.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.989 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.3 tt -60.32 -46.08 95.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-O 120.792 0.33 . . . . 0.0 111.449 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -74.15 3.96 6.32 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -78.37 -17.99 55.71 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.503 ' HA ' HG22 ' A' ' 109' ' ' THR . 21.2 mt -88.18 131.67 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.283 178.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 m -84.8 -41.14 16.39 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.597 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 45.3 t -166.13 164.15 17.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.425 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.27 130.73 29.11 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -139.15 169.23 18.15 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.923 0.392 . . . . 0.0 110.565 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -127.03 157.15 40.36 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.164 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.497 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 10.2 t70 -70.66 124.3 90.66 Favored Pre-proline 0 C--N 1.311 -1.084 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.346 -178.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 18.6 Cg_exo -67.67 -36.86 17.86 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.088 2.525 . . . . 0.0 113.752 -178.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.4 ' HG3' HH22 ' A' ' 48' ' ' ARG . 7.4 pt-20 -89.0 -24.68 22.32 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -176.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 15.2 t70 -126.59 95.74 4.45 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 173.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.728 ' H ' HD23 ' A' ' 102' ' ' LEU . 1.6 pt? -71.11 8.95 0.82 Allowed 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.43 -0.804 . . . . 0.0 113.118 -176.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.6 t -111.68 12.35 21.13 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.438 0.637 . . . . 0.0 109.302 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.7 m -128.37 142.32 51.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.325 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.517 ' CE2' ' HE1' ' A' ' 122' ' ' PHE . 24.5 p90 -151.74 165.07 35.56 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.563 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -146.51 151.23 37.03 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.219 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.427 ' HE1' ' CE2' ' A' ' 122' ' ' PHE . 18.7 p90 -130.24 137.19 49.91 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.789 177.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.0 mt -100.25 122.45 52.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.9 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 92' ' ' ILE . 43.4 p -121.45 -168.75 1.74 Allowed 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.503 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.447 ' HD2' ' O ' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -153.64 131.71 11.81 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 120.852 0.358 . . . . 0.0 110.161 174.425 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -93.89 123.85 37.52 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.81 -21.66 66.03 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.132 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -80.82 -13.18 59.18 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.973 0.416 . . . . 0.0 110.96 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.3 m -115.1 -21.85 9.8 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.398 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 62.9 t30 62.62 21.59 12.79 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.803 0.841 . . . . 0.0 111.0 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -130.42 169.01 16.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.376 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -95.69 130.37 42.61 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -173.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.483 ' CE2' HD13 ' A' ' 30' ' ' LEU . 5.2 m-85 -100.74 117.4 34.76 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.708 178.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 51.0 t -96.99 103.11 15.0 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -103.26 111.22 23.52 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.253 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.4 p -113.83 139.88 37.18 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.556 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.517 ' HE1' ' CE2' ' A' ' 105' ' ' PHE . 0.2 OUTLIER -152.33 168.02 26.79 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-O 121.226 0.536 . . . . 0.0 111.805 178.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 50.5 p -98.9 149.67 22.69 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.026 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -105.84 159.95 15.62 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 120.629 0.252 . . . . 0.0 110.358 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -73.78 -31.85 63.49 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.183 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -142.47 151.3 41.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.765 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.2 t -60.1 -45.72 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.107 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -63.3 -40.57 97.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.816 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.492 ' O ' HG13 ' A' ' 133' ' ' ILE . 3.1 tm? -60.04 -46.24 90.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.802 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.02 77.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.057 0.456 . . . . 0.0 110.943 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.53 99.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.096 -178.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 129' ' ' LEU . 10.1 pt-20 -69.06 -36.37 77.58 Favored 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.935 -178.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 129' ' ' LEU . 31.6 mt -61.08 -45.51 98.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 174.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 37.3 mm -58.78 -42.46 85.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.878 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.4 tt -58.74 -46.71 86.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.265 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.9 m -64.25 -44.45 91.75 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 81.2 mt -58.42 -50.01 75.22 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.73 0.3 . . . . 0.0 110.899 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.85 -44.62 97.83 Favored Glycine 0 C--O 1.241 0.592 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.089 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -59.02 -44.28 91.7 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.42 -46.86 85.63 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.175 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.25 -43.88 98.16 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 111.18 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.21 -41.39 90.22 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.75 -11.82 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 120.965 0.412 . . . . 0.0 111.151 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -67.67 -24.08 65.39 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 120.959 0.409 . . . . 0.0 110.708 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -95.82 5.92 50.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.669 179.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.755 -0.64 . . . . 0.0 109.725 179.884 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 . . . . . 0 N--CA 1.486 1.36 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 66.87 101.24 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.537 -175.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 14' ' ' LEU . 5.8 mp -82.84 4.92 23.49 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.036 -176.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.514 ' H ' HD12 ' A' ' 15' ' ' ILE . 3.9 mp -77.58 73.63 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 122.009 0.909 . . . . 0.0 110.299 -179.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.09 -51.47 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.43 -1.259 . . . . 0.0 107.966 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -87.39 -28.84 21.92 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.136 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.1 p -128.68 115.1 17.5 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.047 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.567 ' HB2' HG13 ' A' ' 68' ' ' VAL . 74.9 m -96.09 104.85 16.82 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.286 -179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -97.04 118.83 34.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.571 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.507 ' CD1' ' HG ' ' A' ' 129' ' ' LEU . 72.4 m-85 -134.16 179.85 6.01 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.983 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -133.81 114.52 13.46 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.0 177.91 4.47 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.39 -178.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.641 ' O ' ' HB2' ' A' ' 122' ' ' PHE . . . -107.36 111.16 23.36 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.528 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.52 ' O ' ' HB ' ' A' ' 61' ' ' VAL . 4.8 t80 -66.65 104.14 1.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.311 -177.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.466 HD12 HG11 ' A' ' 61' ' ' VAL . 17.4 tp -85.99 -56.51 3.44 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.455 ' HA3' ' SD ' ' A' ' 47' ' ' MET . . . -179.53 157.24 20.12 Favored Glycine 0 C--N 1.337 0.611 0 C-N-CA 120.018 -1.087 . . . . 0.0 113.371 177.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.8 m -118.44 116.1 26.01 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -105.8 138.36 42.13 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.977 0.418 . . . . 0.0 111.752 -176.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.437 ' HG ' ' CE1' ' A' ' 118' ' ' TYR . 4.8 tt -84.43 118.52 24.32 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 mm -114.63 137.12 49.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.201 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -111.06 -35.2 5.98 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.21 0.529 . . . . 0.0 109.794 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -102.67 102.29 12.48 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.093 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.407 HD12 HD13 ' A' ' 108' ' ' ILE . 3.0 mm? -86.45 103.08 14.66 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.726 -177.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.508 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 15.5 ptt180 -108.17 75.86 1.01 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.174 0.511 . . . . 0.0 110.529 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 55.55 -130.55 48.29 Favored Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.332 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.2 p -99.7 9.51 42.98 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.754 0.788 . . . . 0.0 110.073 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.508 ' HB2' ' O ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -71.76 -38.67 70.33 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.77 178.05 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 42' ' ' ASP . 22.4 m -60.64 -41.08 94.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.222 177.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.506 HG22 ' SG ' ' A' ' 119' ' ' CYS . 38.4 p -68.6 -45.64 71.46 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.895 0.378 . . . . 0.0 110.243 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -34.53 77.22 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 39' ' ' SER . 12.1 t0 -57.81 -60.26 3.98 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.363 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.62 -40.76 88.62 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.951 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.463 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 48.6 t -59.96 -56.19 24.75 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.731 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.95 -41.56 74.87 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.746 0.308 . . . . 0.0 111.332 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -58.63 -52.95 63.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.702 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.455 ' SD ' ' HA3' ' A' ' 27' ' ' GLY . 66.1 mtm -70.61 -29.85 66.35 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.865 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 44' ' ' CYS . 55.9 mtt180 -58.62 -48.34 81.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.338 0.589 . . . . 0.0 109.526 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.19 -26.98 62.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.836 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.555 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 66.4 t30 -73.79 -36.77 65.05 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.923 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.1 p -64.78 -29.01 69.97 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.978 0.418 . . . . 0.0 111.208 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -95.74 50.11 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.408 0.623 . . . . 0.0 109.556 177.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 41.3 tptt -90.95 130.21 36.9 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.69 -177.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.6 t -77.16 -17.99 58.18 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.527 ' H ' ' HG3' ' A' ' 53' ' ' LYS . 3.4 m -84.22 84.72 7.52 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.781 178.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 58.44 75.57 0.38 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.044 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -51.26 128.12 21.36 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.943 -176.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -73.01 146.55 45.86 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.476 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -80.07 -177.46 6.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.679 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -63.6 149.73 45.74 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.437 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.52 ' HB ' ' O ' ' A' ' 25' ' ' TYR . 26.9 m -79.19 155.38 77.09 Favored Pre-proline 0 C--N 1.307 -1.269 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.775 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.76 146.11 33.31 Favored 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.41 2.073 . . . . 0.0 112.626 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.5 m -81.34 125.9 30.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.258 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.568 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -115.66 137.62 48.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.226 -178.253 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.425 HD11 ' HB2' ' A' ' 78' ' ' ALA . 2.1 mp -79.73 112.03 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.315 0.578 . . . . 0.0 110.574 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.08 97.74 11.12 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.35 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.506 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 48.8 m -108.34 101.13 10.35 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.543 0.687 . . . . 0.0 110.57 179.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.567 HG13 ' HB2' ' A' ' 19' ' ' CYS . 2.2 p -110.12 115.27 49.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.682 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.44 ' OG ' ' HG2' ' A' ' 71' ' ' LYS . 38.0 t -121.3 153.03 38.24 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.278 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.61 -13.46 62.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.44 ' HG2' ' OG ' ' A' ' 69' ' ' SER . 17.0 ptpt -103.77 -1.43 27.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.694 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.404 ' O ' ' HB3' ' A' ' 69' ' ' SER . . . 156.14 158.72 8.98 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.402 -0.904 . . . . 0.0 112.388 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.0 m -118.64 143.13 30.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-O 120.867 0.365 . . . . 0.0 110.688 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.506 ' HG3' ' HB2' ' A' ' 67' ' ' SER . 16.0 ptpt -146.19 134.13 21.38 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.53 0.681 . . . . 0.0 110.613 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.568 ' HB3' HD11 ' A' ' 64' ' ' ILE . 9.0 m-85 -122.91 111.12 16.27 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -177.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.4 mp -123.7 153.01 29.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 123.539 0.524 . . . . 0.0 111.665 -174.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.666 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -95.63 153.95 17.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.902 175.899 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.425 ' HB2' HD11 ' A' ' 65' ' ' ILE . . . -100.67 -11.42 20.0 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.8 m -74.2 -53.33 10.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.953 0.406 . . . . 0.0 110.924 -177.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -124.93 5.99 8.01 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.541 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.666 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 58.2 mttp 63.91 29.53 14.49 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.525 -178.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -72.73 123.75 23.95 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.706 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.742 ' H ' HD13 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -80.58 114.2 21.14 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-O 121.215 0.531 . . . . 0.0 110.68 179.018 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.4 mp -64.06 -43.2 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -171.35 148.51 2.61 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.738 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -151.26 117.73 5.7 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.041 0.448 . . . . 0.0 110.567 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.539 ' NE2' ' HE3' ' A' ' 113' ' ' LYS . 5.1 m-70 -153.15 -174.17 4.84 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.271 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -71.95 159.04 34.92 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.402 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -59.46 -45.33 93.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -177.144 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -75.04 6.68 3.92 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.028 0.442 . . . . 0.0 111.783 -177.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -75.53 -16.54 60.26 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 174.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.18 120.64 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.2 t -77.04 -36.72 55.85 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.742 -176.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 47.3 t -159.39 151.67 21.11 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.086 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.48 120.97 31.04 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.536 ' O ' ' HB2' ' A' ' 105' ' ' PHE . . . -128.63 169.51 14.35 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 120.957 0.408 . . . . 0.0 111.409 -177.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 16.9 pt20 -147.53 162.22 39.52 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.677 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -74.33 129.12 84.81 Favored Pre-proline 0 C--N 1.321 -0.648 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.77 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -57.94 -30.99 91.6 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.671 2.248 . . . . 0.0 112.719 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -75.64 -28.22 58.68 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -156.83 142.84 17.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.852 0.358 . . . . 0.0 111.612 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.29 -5.54 56.18 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.6 t -89.44 17.14 6.54 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.419 0.628 . . . . 0.0 110.503 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.401 HG21 ' NH2' ' A' ' 48' ' ' ARG . 1.5 t -149.52 121.16 8.03 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.182 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.536 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 34.0 p90 -149.85 175.22 11.82 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 120.401 -0.52 . . . . 0.0 112.325 -175.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.48 ' HB2' ' HB ' ' A' ' 121' ' ' VAL . . . -152.83 140.82 20.24 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.945 -177.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -121.14 142.13 50.16 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-O 120.973 0.416 . . . . 0.0 110.039 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.407 HD13 HD12 ' A' ' 34' ' ' LEU . 56.3 mt -100.22 120.91 50.31 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.47 140.83 35.22 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.363 -175.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 tptm -87.93 75.1 8.86 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -82.67 78.3 9.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.578 0.704 . . . . 0.0 109.341 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.7 tp -62.07 -30.47 71.01 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.424 -174.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.539 ' HE3' ' NE2' ' A' ' 87' ' ' HIS . 0.0 OUTLIER -72.26 -17.69 61.87 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.63 -179.394 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.9 m -97.43 -5.86 35.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.949 0.404 . . . . 0.0 110.069 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 64.78 13.38 8.41 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.669 177.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -140.64 170.25 16.13 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.724 0.297 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -102.35 126.09 49.26 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.983 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.437 ' CE1' ' HG ' ' A' ' 30' ' ' LEU . 23.9 m-85 -104.59 126.23 51.48 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.049 0.452 . . . . 0.0 111.32 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.506 ' SG ' HG22 ' A' ' 40' ' ' THR . 33.2 t -101.63 100.55 10.96 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.507 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -89.75 104.13 16.71 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.48 ' HB ' ' HB2' ' A' ' 106' ' ' ALA . 1.2 p -109.1 130.03 62.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.244 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.641 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 22.9 p90 -153.61 168.2 26.98 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 121.204 0.526 . . . . 0.0 111.351 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 50.6 p -107.45 170.61 7.87 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.324 -177.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.499 ' CB ' ' HB2' ' A' ' 130' ' ' ALA . . . -129.5 150.39 50.86 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -77.54 -26.1 50.73 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -122.7 131.0 53.6 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.57 -52.34 62.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.487 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -62.4 -37.18 84.77 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.448 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.507 ' HG ' ' CD1' ' A' ' 21' ' ' TYR . 8.2 tt -56.7 -51.46 68.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.735 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.499 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . . . -64.01 -45.73 87.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.988 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.39 79.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.144 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -70.98 -34.04 71.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.892 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 129' ' ' LEU . 67.3 mt -64.3 -44.97 97.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 30.3 mm -58.77 -43.11 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.287 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.46 -46.43 90.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.545 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 62.3 m -58.14 -52.39 65.77 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.746 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.23 -51.75 67.66 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.404 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.56 -46.84 92.66 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.951 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -64.9 -42.58 94.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.763 0.316 . . . . 0.0 110.826 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.2 86.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -76.34 -40.43 51.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.96 -40.99 95.83 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.868 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.7 p -65.82 -31.62 54.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -82.18 -15.26 53.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.226 0.536 . . . . 0.0 110.641 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -84.39 -55.59 4.08 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.689 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 . . . . . 0 C--O 1.243 0.715 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.393 -179.777 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 121.061 0.458 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.35 85.99 6.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.292 0.567 . . . . 0.0 110.835 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.0 tp -127.94 157.94 39.18 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.923 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.6 mm -70.86 77.59 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 121.418 0.628 . . . . 0.0 109.932 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 178.58 -41.95 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.385 -1.279 . . . . 0.0 108.274 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -107.5 -3.79 19.09 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.956 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.7 p -152.84 149.87 28.74 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.553 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.673 ' SG ' HG21 ' A' ' 136' ' ' THR . 19.4 p -133.49 130.37 38.46 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 120.848 0.356 . . . . 0.0 110.377 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -106.76 95.82 6.0 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.508 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -116.18 138.86 50.91 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.003 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -90.4 121.94 32.82 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.487 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.74 173.6 6.65 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.812 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.496 ' HB1' ' CG2' ' A' ' 61' ' ' VAL . . . -98.82 120.52 39.39 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.33 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.478 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 5.7 t80 -72.35 95.6 1.76 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.962 0.41 . . . . 0.0 109.918 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.409 ' HB3' ' O ' ' A' ' 121' ' ' VAL . 20.3 tp -77.03 -56.92 4.16 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.51 165.79 37.91 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 119.662 -1.256 . . . . 0.0 113.529 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' A' ' 119' ' ' CYS . 28.7 t -144.85 109.65 5.02 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.413 ' HB2' ' HE2' ' A' ' 29' ' ' MET . 2.4 mpp? -107.7 157.7 17.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.708 -175.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.438 HD21 ' CE1' ' A' ' 118' ' ' TYR . 97.2 mt -96.31 105.45 17.52 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.73 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 119' ' ' CYS . 15.1 mm -94.5 117.45 38.24 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.91 -76.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -98.84 108.19 20.81 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -85.09 118.57 24.73 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.923 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -117.21 83.82 2.05 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.616 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.2 -153.24 35.56 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.396 -0.82 . . . . 0.0 114.635 176.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 t -76.68 -2.47 33.0 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.258 0.623 . . . . 0.0 110.955 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -61.85 -50.09 73.65 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.638 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.9 t -74.94 -27.76 60.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.042 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.2 p -67.05 -44.82 79.21 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 120.254 -0.579 . . . . 0.0 109.826 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -69.68 -30.65 68.36 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.724 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.42 -53.2 60.87 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.234 0.54 . . . . 0.0 109.816 175.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.37 87.17 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.096 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.5 t -59.19 -59.5 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.466 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.69 82.59 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.523 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' NZ ' ' HB2' ' A' ' 46' ' ' LYS . 4.9 ttmp? -58.17 -55.12 39.07 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.931 0.395 . . . . 0.0 111.179 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.419 ' HE1' HG13 ' A' ' 121' ' ' VAL . 49.1 mtm -70.73 -37.41 73.49 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.849 -178.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -63.07 -34.08 76.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.816 0.341 . . . . 0.0 110.485 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.33 -33.7 58.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.945 0.402 . . . . 0.0 110.548 176.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.411 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 17.1 m-80 -77.05 -27.03 54.26 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.631 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.8 t -68.18 -37.37 80.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.89 0.376 . . . . 0.0 110.604 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -81.5 54.83 2.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.192 0.52 . . . . 0.0 111.546 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 50' ' ' ASN . 51.4 mttp -59.55 -49.26 78.44 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.256 178.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -153.24 143.52 22.39 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.598 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.2 t -53.15 130.52 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 52.49 4.05 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.805 1.642 . . . . 0.0 114.848 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -88.98 -18.63 27.03 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 174.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 ptp -65.23 124.31 21.84 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.496 -1.229 . . . . 0.0 108.744 175.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -95.73 161.13 14.15 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 120.96 0.41 . . . . 0.0 111.6 -175.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.443 ' HD2' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -69.49 144.77 53.11 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.352 178.886 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.496 ' CG2' ' HB1' ' A' ' 24' ' ' ALA . 27.3 m -95.3 160.71 30.09 Favored Pre-proline 0 C--N 1.304 -1.374 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.657 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -49.04 134.24 29.37 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.931 2.421 . . . . 0.0 112.578 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.8 m -84.72 131.64 34.55 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.543 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.634 HD11 ' HB3' ' A' ' 75' ' ' PHE . 1.3 tt -116.41 135.55 56.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.104 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.57 100.05 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.2 mt -83.27 94.77 7.98 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.612 ' OG ' ' HG3' ' A' ' 74' ' ' LYS . 3.3 p -102.72 97.95 8.05 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.488 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.435 HG21 HD23 ' A' ' 137' ' ' LEU . 1.4 p -106.3 127.21 61.74 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.905 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.2 m -118.52 159.89 22.72 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.309 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.75 -12.93 39.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.65 0.262 . . . . 0.0 111.535 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.535 ' HE2' ' HA ' ' A' ' 71' ' ' LYS . 8.3 mmpt? -111.68 4.82 18.84 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.755 -178.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 156.42 166.3 16.01 Favored Glycine 0 C--O 1.22 -0.761 0 C-N-CA 119.837 -1.173 . . . . 0.0 112.295 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.44 HG11 HD11 ' A' ' 92' ' ' ILE . 7.4 p -131.49 129.16 61.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.265 0.555 . . . . 0.0 111.293 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.612 ' HG3' ' OG ' ' A' ' 67' ' ' SER . 4.3 ptmm? -118.52 135.51 54.36 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.989 -179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.634 ' HB3' HD11 ' A' ' 64' ' ' ILE . 4.3 m-85 -117.98 112.46 20.3 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.17 -176.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.442 ' N ' HD12 ' A' ' 76' ' ' ILE . 3.5 mp -124.28 149.3 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-O 120.638 0.256 . . . . 0.0 110.983 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.625 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -86.9 149.34 24.87 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.903 0.481 . . . . 0.0 110.796 178.206 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.4 -17.28 20.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 m -69.19 -54.23 15.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.877 0.37 . . . . 0.0 111.532 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -125.85 4.36 7.36 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.234 0.54 . . . . 0.0 110.091 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.625 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 13.5 mptt 66.51 38.06 4.33 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.645 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -86.88 130.44 34.46 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 83' ' ' ILE . 3.3 mp -75.32 114.2 15.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-O 120.64 0.257 . . . . 0.0 110.408 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' A' ' 77' ' ' ASP . 2.2 mp -68.74 -46.35 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.246 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -170.76 171.25 6.23 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.366 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -153.16 120.62 5.92 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -139.72 153.14 47.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.078 0.465 . . . . 0.0 111.635 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.07 147.38 38.7 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 175.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.545 HD12 HD12 ' A' ' 92' ' ' ILE . 7.6 tp -59.33 -39.28 78.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -175.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -70.32 -7.51 43.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.511 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -96.15 -2.28 46.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.975 0.417 . . . . 0.0 111.035 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.545 HD12 HD12 ' A' ' 89' ' ' ILE . 28.8 mt -74.61 111.65 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.814 178.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.1 m -55.62 -51.45 67.14 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.538 -177.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 48.9 t -169.36 160.43 9.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.427 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.9 132.19 23.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.355 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -141.84 164.98 28.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.729 0.3 . . . . 0.0 110.927 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 29.8 pt20 -128.71 162.32 27.64 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.75 123.35 83.97 Favored Pre-proline 0 C--N 1.317 -0.84 0 CA-C-O 120.882 0.372 . . . . 0.0 111.364 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -63.16 -29.15 73.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.589 2.193 . . . . 0.0 111.676 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -88.24 -6.8 57.6 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.699 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -154.34 102.61 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.954 0.407 . . . . 0.0 110.505 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.1 mt -80.43 13.98 2.21 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.527 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.1 t -118.09 13.36 13.84 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.2 m -135.05 134.19 40.13 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.891 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 32.1 p90 -138.55 149.16 45.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.172 0.51 . . . . 0.0 111.896 -177.13 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -139.32 124.25 18.72 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.184 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -133.9 164.16 27.89 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.982 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.31 137.64 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.921 0 CA-C-O 121.204 0.526 . . . . 0.0 112.132 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 118' ' ' TYR . 50.6 p -139.79 123.06 16.99 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.338 -1.301 . . . . 0.0 109.215 178.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.439 ' HD2' ' O ' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -89.86 133.82 34.53 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.299 -0.561 . . . . 0.0 111.113 178.52 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -115.92 141.21 48.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.64 -177.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 112' ' ' LEU . 8.0 tt -59.27 -34.6 72.46 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.545 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.468 ' HB2' ' HZ2' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -87.69 -7.68 57.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.077 0.465 . . . . 0.0 110.858 -177.674 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.413 ' HB2' ' CE2' ' A' ' 118' ' ' TYR . 33.0 t -98.78 -43.63 6.7 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.542 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 19.1 m120 70.52 5.24 5.3 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.403 -177.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -129.42 -179.98 5.46 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.084 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -98.11 114.4 26.58 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.384 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.438 ' CE1' HD21 ' A' ' 30' ' ' LEU . 10.6 m-85 -78.24 108.76 11.8 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.657 178.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.552 ' O ' ' HA ' ' A' ' 28' ' ' SER . 47.2 t -88.24 92.72 9.27 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -89.51 104.83 17.35 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.675 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.419 HG13 ' HE1' ' A' ' 47' ' ' MET . 1.7 p -114.51 115.08 48.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 CA-C-O 121.436 0.636 . . . . 0.0 109.964 178.059 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 16.6 m-85 -128.71 162.18 27.97 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.588 -177.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.43 HG23 ' HB3' ' A' ' 24' ' ' ALA . 3.2 t -122.03 138.5 54.41 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.111 0.481 . . . . 0.0 110.579 179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.17 159.62 18.8 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.508 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -85.6 -10.42 55.88 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 120.973 0.416 . . . . 0.0 110.208 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.451 ' HB2' ' HB2' ' A' ' 129' ' ' LEU . 25.4 m-20 -144.42 146.53 32.54 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.545 178.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 72.3 t -61.77 -46.69 95.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.898 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.487 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 53.8 t30 -63.7 -32.75 74.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.182 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 126' ' ' ASP . 2.2 tm? -61.36 -51.03 70.52 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.04 98.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.556 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.3 -45.2 88.41 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.144 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 128' ' ' ASN . 67.9 mm-40 -60.43 -47.92 84.01 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.671 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 79.2 mt -54.84 -55.43 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.121 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 50.8 mm -62.12 -34.5 63.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.075 0.464 . . . . 0.0 110.876 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.78 -54.32 37.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.752 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.673 HG21 ' SG ' ' A' ' 19' ' ' CYS . 9.5 t -68.77 -31.46 70.5 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.606 -178.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.435 HD23 HG21 ' A' ' 68' ' ' VAL . 51.3 mt -61.95 -52.03 65.71 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 175.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -61.64 -45.41 96.34 Favored Glycine 0 C--O 1.217 -0.908 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.746 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -56.87 -48.75 77.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.877 0.37 . . . . 0.0 110.921 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.57 84.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.358 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -75.7 -35.34 60.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.031 0.443 . . . . 0.0 110.565 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -72.17 -43.46 64.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.872 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.07 -24.39 35.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-O 120.996 0.427 . . . . 0.0 111.101 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -78.01 -11.42 59.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -115.27 -24.29 8.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.445 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 . . . . . 0 C--O 1.244 0.788 0 CA-C-O 118.532 -0.746 . . . . 0.0 110.382 -179.784 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.952 0.406 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp 61.35 43.57 10.46 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.786 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.482 ' H ' HD22 ' A' ' 14' ' ' LEU . 2.3 mm? -67.7 114.43 6.31 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.1 pt -62.8 -22.41 30.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -176.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.67 -30.31 7.39 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -93.94 -5.07 48.61 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.951 0.405 . . . . 0.0 111.8 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.5 m -150.71 169.58 21.27 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.506 ' HB2' HG13 ' A' ' 68' ' ' VAL . 89.2 m -118.53 117.73 29.79 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -115.5 105.59 12.98 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.585 -177.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.597 ' HB3' HD21 ' A' ' 129' ' ' LEU . 70.2 m-85 -124.09 151.79 43.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -176.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -104.46 134.1 48.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.48 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.29 170.67 15.52 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.456 ' HB1' HG21 ' A' ' 61' ' ' VAL . . . -97.95 125.28 42.79 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 178.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.586 ' O ' HG23 ' A' ' 61' ' ' VAL . 36.7 t80 -70.78 96.17 1.22 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.697 -177.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.418 ' HB3' ' O ' ' A' ' 121' ' ' VAL . 24.9 tp -78.26 -51.6 9.91 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 167.97 158.7 12.39 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 119.443 -1.361 . . . . 0.0 113.734 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.4 p -112.61 109.27 18.71 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -104.41 140.07 38.46 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.267 -175.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 116' ' ' HIS . 36.6 tp -96.69 125.74 41.37 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.6 mm -105.58 126.01 60.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.746 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -62.93 -58.73 6.36 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.542 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -117.69 105.56 12.14 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.121 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.693 HD21 HD13 ' A' ' 108' ' ' ILE . 0.8 OUTLIER -75.92 128.52 35.26 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.412 -177.653 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.414 ' N ' HD13 ' A' ' 34' ' ' LEU . 43.9 ptt85 -141.9 93.97 2.62 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.341 0.591 . . . . 0.0 111.885 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.32 -163.32 17.32 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-N 115.346 -0.843 . . . . 0.0 114.441 176.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.3 p -80.62 -1.77 43.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.314 0.578 . . . . 0.0 111.138 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -73.63 -20.81 60.48 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.1 m -71.39 -40.99 70.19 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.585 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.594 HG23 HD11 ' A' ' 108' ' ' ILE . 21.6 p -69.07 -40.16 78.65 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.956 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -58.15 -45.64 87.07 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.846 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -57.28 -50.64 72.28 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.46 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.77 -54.98 26.73 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.759 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 82.4 m -51.6 -52.73 45.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.167 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.67 89.64 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.991 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -56.73 -60.12 4.02 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.481 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -69.76 -38.12 76.64 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -176.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.51 HH12 ' HG3' ' A' ' 100' ' ' GLU . 16.3 ptm180 -66.25 -37.71 86.15 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.591 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -68.96 -41.91 77.35 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.004 0.431 . . . . 0.0 109.892 178.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -62.43 -37.0 84.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.521 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.5 t -66.51 -28.76 68.81 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.57 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -103.74 14.48 30.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.311 0.577 . . . . 0.0 110.724 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 38.1 tptt -117.67 173.77 6.54 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.2 t -73.06 98.11 2.48 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 176.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.0 t -122.49 172.61 8.24 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.31 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -146.77 169.29 19.39 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.51 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 72.21 -10.85 0.85 Allowed 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.342 0.657 . . . . 0.0 111.472 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.2 ttm -73.28 116.83 14.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 121.201 0.524 . . . . 0.0 110.079 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.702 ' H ' ' HD2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -98.05 169.17 9.81 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.606 -179.093 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -63.23 125.9 25.63 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.245 0.545 . . . . 0.0 111.454 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 25' ' ' TYR . 7.5 p -63.94 125.58 88.2 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.121 -178.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -88.01 163.1 7.35 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.748 2.299 . . . . 0.0 111.791 176.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.5 m -94.59 129.68 41.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.951 0.405 . . . . 0.0 110.86 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.66 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -111.69 136.27 48.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.069 179.046 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.474 HG13 ' HB2' ' A' ' 78' ' ' ALA . 40.8 mt -104.77 113.75 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 176.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.505 HD23 ' CD1' ' A' ' 75' ' ' PHE . 4.4 mp -92.5 105.92 18.0 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.283 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.3 m -96.72 95.68 8.08 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.144 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.506 HG13 ' HB2' ' A' ' 19' ' ' CYS . 3.1 p -106.87 130.05 59.48 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.019 -176.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 t -124.27 156.78 36.3 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.61 -13.7 61.45 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -113.88 7.92 17.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.727 0.299 . . . . 0.0 111.494 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.43 152.19 7.01 Favored Glycine 0 C--O 1.219 -0.801 0 C-N-CA 120.065 -1.064 . . . . 0.0 111.824 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.54 HG11 HD11 ' A' ' 92' ' ' ILE . 6.7 p -135.14 130.18 51.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-O 121.069 0.461 . . . . 0.0 111.398 -176.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' ' 74' ' ' LYS . 12.4 ptpt -130.64 128.19 40.46 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.52 0.676 . . . . 0.0 111.395 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.66 ' HB3' HD11 ' A' ' 64' ' ' ILE . 22.2 m-85 -104.0 114.13 28.17 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.554 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.1 mt -120.1 150.39 22.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.406 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.523 ' HB3' ' H ' ' A' ' 82' ' ' ASN . 13.4 t70 -72.01 149.72 44.69 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.474 ' HB2' HG13 ' A' ' 65' ' ' ILE . . . -84.18 -25.42 29.56 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -175.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 m -94.53 -55.17 3.24 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -114.18 20.55 15.5 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.877 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt 48.4 31.5 2.8 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.856 0.862 . . . . 0.0 112.39 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.523 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 38.6 t30 -55.41 125.81 22.44 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.02 177.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 83' ' ' ILE . 3.6 mp -72.76 100.83 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.084 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.1 mt -82.92 -60.23 2.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -177.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.59 113.73 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.894 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -114.13 121.08 42.7 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.935 176.881 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -150.42 -171.52 3.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.296 0.57 . . . . 0.0 111.505 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -105.88 154.0 21.16 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.14 177.744 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.458 HD12 HD12 ' A' ' 92' ' ' ILE . 7.4 tp -61.37 -25.08 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 120.817 0.341 . . . . 0.0 111.628 -176.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -65.37 -24.67 67.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.145 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -84.86 -10.04 57.54 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 120.815 0.34 . . . . 0.0 111.296 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.54 HD11 HG11 ' A' ' 73' ' ' VAL . 30.1 mt -82.94 112.23 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 176.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.7 t -79.3 -36.88 38.94 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.386 -175.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.5 t -157.53 162.56 38.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.814 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.01 107.24 4.54 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.15 -179.14 4.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.324 0.583 . . . . 0.0 111.9 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 6.6 pt20 -141.27 163.92 31.65 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.52 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.59 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 11.0 t70 -68.37 139.96 92.41 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-O 120.523 0.201 . . . . 0.0 110.766 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 62.1 Cg_exo -53.22 -48.13 23.75 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.212 2.608 . . . . 0.0 113.891 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.51 ' HG3' HH12 ' A' ' 48' ' ' ARG . 9.1 pt-20 -103.15 -28.36 11.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -175.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.59 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 11.4 t70 -103.64 104.87 14.97 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.056 0.455 . . . . 0.0 110.558 -178.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -82.8 7.63 14.6 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.245 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.7 t -104.55 3.19 31.59 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.1 m -119.72 124.0 45.15 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.909 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.496 ' HB2' HD11 ' A' ' 134' ' ' ILE . 44.4 p90 -124.74 153.74 41.94 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.765 0.316 . . . . 0.0 110.993 -178.041 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 120' ' ' HIS . . . -147.53 118.53 7.69 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.567 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -109.3 148.44 31.03 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.239 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.693 HD13 HD21 ' A' ' 34' ' ' LEU . 74.7 mt -110.26 126.57 67.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.002 -177.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.404 HG22 HG12 ' A' ' 92' ' ' ILE . 6.8 p -116.96 140.72 49.14 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.368 178.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -85.86 98.29 10.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.479 0.657 . . . . 0.0 109.924 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -89.41 98.79 11.97 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.106 -175.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.2 -23.29 67.26 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.818 -175.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -80.18 -13.16 59.47 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.69 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.4 p -111.44 -4.77 14.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.94 0.4 . . . . 0.0 110.308 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 66.8 t30 67.82 6.84 5.33 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.753 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.487 ' HB2' HD11 ' A' ' 30' ' ' LEU . 97.3 m-70 -136.02 -171.58 2.91 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 121.947 -0.47 . . . . 0.0 111.0 -178.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -104.97 123.81 48.43 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.998 0.428 . . . . 0.0 111.641 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -93.25 120.27 33.35 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.063 177.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 24.5 p -102.01 121.24 41.8 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.438 ' O ' ' HA ' ' A' ' 106' ' ' ALA . 28.8 m170 -102.05 108.21 19.57 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.305 -177.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 7.6 p -101.61 122.36 53.67 Favored 'Isoleucine or valine' 0 C--O 1.247 0.967 0 CA-C-O 121.24 0.543 . . . . 0.0 110.233 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 22.7 m-85 -130.13 142.85 50.55 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.824 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 75.0 p -100.43 116.42 32.34 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.57 164.36 25.43 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 120.815 0.341 . . . . 0.0 110.497 -178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -95.86 13.61 26.16 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.361 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 129' ' ' LEU . 19.6 t70 -170.81 142.08 1.88 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.769 -178.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.94 -53.79 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.954 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -63.22 -35.44 80.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.944 0.402 . . . . 0.0 110.554 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.597 HD21 ' HB3' ' A' ' 21' ' ' TYR . 5.2 tt -60.01 -48.11 83.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.498 178.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.06 -44.34 96.1 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.392 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.97 -40.21 84.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.553 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -61.8 -43.98 97.78 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.209 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 129' ' ' LEU . 68.6 mt -59.69 -51.23 75.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.266 178.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.496 HD11 ' HB2' ' A' ' 105' ' ' PHE . 33.2 mm -62.48 -43.47 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.591 ' O ' ' HG2' ' A' ' 139' ' ' GLN . 9.9 tt -58.05 -47.75 82.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 32.5 m -63.61 -45.25 91.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 99.1 mt -57.31 -41.04 79.14 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.04 0.448 . . . . 0.0 109.793 176.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -64.52 -38.43 95.73 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.062 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 29.3 mm-40 -65.49 -42.85 91.72 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.989 0.423 . . . . 0.0 110.228 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.62 88.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.823 177.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.45 -34.61 78.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.955 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.65 -48.21 67.36 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.936 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.7 p -69.81 -22.2 24.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-O 120.986 0.422 . . . . 0.0 110.949 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.92 -13.23 59.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.009 0.433 . . . . 0.0 110.861 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -91.05 -30.16 16.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.322 0.582 . . . . 0.0 110.031 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.472 -178.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.788 0.328 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -97.61 100.46 11.86 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.4 mt -55.69 -76.07 0.03 OUTLIER 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.366 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.6 mt -75.48 92.1 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.589 0 CA-C-O 121.234 0.54 . . . . 0.0 110.028 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 168.38 -67.48 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.673 0 CA-C-N 114.306 -1.316 . . . . 0.0 108.431 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -83.61 -24.41 31.47 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.87 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.5 m -121.36 153.75 37.37 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.99 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.9 m -111.48 105.28 13.83 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 176.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -108.61 114.57 28.49 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.754 -175.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.413 ' CB ' HD21 ' A' ' 129' ' ' LEU . 41.0 m-85 -136.86 174.98 10.03 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -108.47 120.02 41.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.002 0.43 . . . . 0.0 110.529 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.09 176.05 5.18 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.562 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.493 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -116.42 121.54 42.18 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -71.1 96.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.077 -176.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.484 ' HB3' ' O ' ' A' ' 121' ' ' VAL . 32.3 tp -78.64 -62.52 1.66 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.257 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.46 165.28 36.08 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 119.617 -1.278 . . . . 0.0 113.548 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 p -128.4 103.39 7.12 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 122.73 0.412 . . . . 0.0 110.259 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.81 158.29 15.96 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 120.905 0.383 . . . . 0.0 111.324 -177.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.5 mt -104.55 117.13 33.38 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.8 mm -96.24 131.0 44.12 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.07 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -82.91 -69.0 0.66 Allowed 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -92.44 107.84 19.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.782 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.553 HD21 HD13 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -89.35 111.62 22.52 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -178.285 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -142.49 109.33 5.46 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.272 0.558 . . . . 0.0 111.769 -179.1 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.71 -144.61 30.19 Favored Glycine 0 C--N 1.331 0.259 0 CA-C-N 115.215 -0.902 . . . . 0.0 113.463 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.4 t -97.17 9.24 42.71 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.095 0.474 . . . . 0.0 110.243 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -68.93 -39.27 79.7 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.08 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.0 m -62.5 -44.55 96.1 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.4 p -68.52 -42.8 78.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.441 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -63.92 -35.66 81.4 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.969 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.587 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 18.4 t70 -59.97 -60.06 4.43 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.185 177.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.57 84.76 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.083 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.9 t -58.49 -60.82 3.2 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.403 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.27 86.44 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -176.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 44.4 mmtm -61.32 -52.05 66.31 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.252 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 48.1 mtm -72.93 -38.74 66.72 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.465 -0.494 . . . . 0.0 112.117 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.441 HH12 ' HG3' ' A' ' 100' ' ' GLU . 64.0 ttt180 -57.01 -46.62 82.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.796 0.332 . . . . 0.0 110.508 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' ' 53' ' ' LYS . . . -70.92 -47.85 56.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.54 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -57.27 -38.85 74.53 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.637 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.7 t -63.25 -30.27 71.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.464 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -102.18 -2.15 29.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.745 0.307 . . . . 0.0 111.543 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 31.9 mmmt -97.95 -63.69 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 176.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.5 p -87.99 87.67 7.41 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.3 p -102.76 154.36 19.25 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.331 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -140.47 -155.27 0.57 Allowed 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -71.55 2.87 4.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.081 0.467 . . . . 0.0 110.811 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 49.2 ttp -56.24 125.65 22.73 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.833 178.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -88.05 -54.07 4.41 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -167.94 160.94 12.6 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.442 -0.799 . . . . 0.0 108.879 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.493 HG23 ' HB1' ' A' ' 24' ' ' ALA . 32.5 m -71.58 155.59 92.33 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.561 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.35 144.48 91.2 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.091 2.528 . . . . 0.0 112.974 -178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.1 m -84.01 135.74 34.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.107 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.469 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -129.31 128.8 66.92 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.763 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.474 ' H ' HD12 ' A' ' 65' ' ' ILE . 4.3 mp -75.78 109.42 9.34 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.587 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.99 99.17 11.95 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.296 -178.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.428 ' HB3' ' HB2' ' A' ' 74' ' ' LYS . 22.8 t -112.55 116.14 29.75 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 121.382 0.611 . . . . 0.0 110.052 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.454 HG21 HD23 ' A' ' 137' ' ' LEU . 2.3 p -123.36 134.31 66.66 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.529 -177.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.7 p -145.14 161.81 38.58 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.38 -1.66 13.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.079 0.466 . . . . 0.0 110.693 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -105.25 -9.09 17.89 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.618 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 154.03 171.11 20.72 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.234 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.5 m -124.47 136.52 60.29 Favored 'Isoleucine or valine' 0 C--O 1.248 0.999 0 CA-C-O 121.295 0.569 . . . . 0.0 111.591 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 67' ' ' SER . 73.9 mmtt -122.93 122.54 38.82 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.062 -178.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.469 ' HB3' HD11 ' A' ' 64' ' ' ILE . 22.5 m-85 -123.92 98.86 5.99 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.3 mp -117.46 144.65 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.976 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.707 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 7.8 t70 -74.76 143.23 44.15 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.554 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.42 -19.87 16.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.913 0.387 . . . . 0.0 110.684 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -63.73 -50.7 68.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.059 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -139.1 23.98 2.56 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.707 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 64.1 pttt 52.87 32.44 12.46 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.363 1.065 . . . . 0.0 112.236 178.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -65.47 123.64 20.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.242 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.8 mt -72.83 101.11 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.9 mt -81.52 -65.34 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.623 -176.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.45 141.22 10.42 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.41 -0.516 . . . . 0.0 112.235 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -140.38 121.25 14.49 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -147.31 171.95 14.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.316 0.579 . . . . 0.0 112.184 -175.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -66.19 145.3 55.94 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.869 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.4 tt -63.25 -31.17 51.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.168 0.509 . . . . 0.0 110.62 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -68.86 -8.58 45.16 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.384 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -16.24 57.72 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.064 0.459 . . . . 0.0 109.847 178.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.5 mt -82.32 138.72 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.867 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.5 m -92.6 -42.79 9.47 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.522 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.7 t -164.47 170.47 15.89 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.814 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.28 121.4 16.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.211 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.58 179.45 5.93 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.435 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -148.65 173.92 12.7 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.593 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 11.1 t70 -70.94 131.36 87.44 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 31.6 Cg_exo -58.94 -27.13 83.77 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 123.074 2.516 . . . . 0.0 114.199 -176.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.441 ' HG3' HH12 ' A' ' 48' ' ' ARG . 7.9 pt-20 -115.6 -34.0 5.02 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.371 -0.532 . . . . 0.0 112.081 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.593 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 21.0 t70 -102.13 96.19 6.83 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-O 121.22 0.533 . . . . 0.0 109.959 179.3 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -75.05 12.34 0.91 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.532 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.403 ' HB2' HG22 ' A' ' 127' ' ' VAL . 7.4 t -104.71 12.06 33.28 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.098 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 m -130.14 123.06 29.45 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.826 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.47 ' HB2' HD11 ' A' ' 134' ' ' ILE . 44.4 p90 -121.79 145.96 47.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.005 0.431 . . . . 0.0 110.826 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 121' ' ' VAL . . . -138.74 111.97 8.03 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.724 -178.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -103.86 144.31 31.67 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 120.961 0.41 . . . . 0.0 110.225 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.553 HD13 HD21 ' A' ' 34' ' ' LEU . 61.1 mt -106.1 125.3 61.71 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.191 -178.205 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.9 p -114.17 149.49 35.62 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 123.676 0.61 . . . . 0.0 110.569 178.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -107.11 99.34 8.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.25 0.548 . . . . 0.0 110.815 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.536 ' OD2' ' HB2' ' A' ' 113' ' ' LYS . 24.2 t70 -100.81 97.67 8.26 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.94 -178.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -60.23 -19.51 54.85 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.73 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.536 ' HB2' ' OD2' ' A' ' 111' ' ' ASP . 1.9 mtpm? -66.96 -36.4 82.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.547 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.2 t -98.09 -12.07 22.22 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.263 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 63.04 24.17 14.37 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.757 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -144.12 155.93 44.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.667 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -84.28 130.48 34.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.475 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -93.78 125.2 38.26 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.721 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 54.0 t -104.52 96.75 6.81 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -91.92 103.99 16.46 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 2.4 p -110.79 119.55 59.72 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.578 -178.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -126.34 156.93 39.68 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.82 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.45 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 40.2 p -102.93 164.47 11.6 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.409 ' CB ' ' HB2' ' A' ' 130' ' ' ALA . . . -121.46 160.02 25.04 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 120.8 0.333 . . . . 0.0 110.505 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -87.52 -11.81 47.72 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.698 178.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -144.03 133.26 23.07 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.358 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.403 HG22 ' HB2' ' A' ' 103' ' ' SER . 57.3 t -61.62 -50.56 79.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.645 -178.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.58 -37.43 78.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.554 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.413 HD21 ' CB ' ' A' ' 21' ' ' TYR . 6.4 tt -60.12 -50.93 71.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.053 177.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.409 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . . . -61.41 -44.22 97.51 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.839 0.352 . . . . 0.0 110.959 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.23 76.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.395 178.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.59 -39.63 88.51 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.613 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 70.0 mt -62.12 -47.17 94.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.098 177.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.47 HD11 ' HB2' ' A' ' 105' ' ' PHE . 40.5 mm -60.35 -43.07 92.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 121.136 0.493 . . . . 0.0 110.414 177.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.77 -50.66 72.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.716 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 56.1 m -60.16 -50.64 72.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.284 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.454 HD23 HG21 ' A' ' 68' ' ' VAL . 69.0 mt -54.91 -47.81 73.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.656 0.265 . . . . 0.0 111.01 179.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.465 ' O ' ' HB2' ' A' ' 142' ' ' GLU . . . -60.05 -53.28 47.04 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.315 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -60.88 -49.39 77.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 111.257 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.7 93.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.897 -177.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -71.13 -32.11 68.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.794 0.331 . . . . 0.0 110.865 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' ' 138' ' ' GLY . 2.5 tp10 -71.72 -45.34 62.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.623 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.469 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 7.5 p -69.63 -22.6 25.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 121.047 0.451 . . . . 0.0 110.762 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.85 -14.82 58.38 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.209 0.528 . . . . 0.0 110.209 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -84.5 -32.74 23.79 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.75 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.596 -0.716 . . . . 0.0 110.985 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 121.05 0.452 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -145.63 -69.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.69 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.9 mt -102.35 115.1 29.88 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.3 mt -43.58 -41.88 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -173.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.45 -23.32 13.18 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -174.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -99.26 -2.66 36.0 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.919 0.39 . . . . 0.0 111.444 -176.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 39.6 p -162.75 123.4 2.42 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.741 179.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.7 p -148.14 158.71 44.23 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 120.76 0.314 . . . . 0.0 111.084 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -121.18 105.27 10.43 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 132' ' ' GLU . 49.1 m-85 -118.23 133.22 56.08 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 120.767 0.318 . . . . 0.0 111.091 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -79.67 111.5 16.03 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 121.145 0.498 . . . . 0.0 110.931 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.24 164.97 11.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.478 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' HB3' ' OG1' ' A' ' 123' ' ' THR . . . -99.89 126.13 45.98 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.483 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 5.4 t80 -72.37 100.74 2.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -177.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.0 tp -84.29 -57.4 3.18 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.56 145.13 6.18 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 119.257 -1.449 . . . . 0.0 113.894 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -106.23 108.73 20.39 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 175.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.7 tpp -110.79 139.51 46.02 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.028 0.442 . . . . 0.0 111.737 -174.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -92.19 117.19 29.63 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.748 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mm -106.73 164.31 4.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -80.34 -141.48 0.04 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -77.67 75.86 4.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.426 0.632 . . . . 0.0 111.004 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.5 ' HB3' ' OG ' ' A' ' 39' ' ' SER . 1.6 mm? -107.83 114.63 28.72 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.88 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -117.64 29.87 7.6 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.102 -174.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -146.01 -179.75 22.44 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.735 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.0 p -75.72 -3.28 33.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.226 0.536 . . . . 0.0 111.171 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.28 -38.63 74.23 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.5 ' OG ' ' HB3' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -65.8 -48.16 72.7 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.641 -179.151 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.444 HG23 HD11 ' A' ' 108' ' ' ILE . 15.2 p -61.52 -45.98 91.9 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.8 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -64.48 -43.03 95.47 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.347 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.647 ' OD2' ' HE2' ' A' ' 46' ' ' LYS . 31.4 t70 -64.0 -57.04 10.88 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.24 -177.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.67 -51.84 68.07 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.38 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.5 t -57.94 -42.35 84.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.494 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.34 95.01 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.877 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.647 ' HE2' ' OD2' ' A' ' 42' ' ' ASP . 68.7 mttm -56.88 -60.53 3.43 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.6 178.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -64.87 -39.44 93.55 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.986 -178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.2 ttm-85 -56.16 -40.78 74.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.801 0.334 . . . . 0.0 111.138 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.81 -27.29 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -93.47 -4.52 51.05 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.483 ' HA ' ' OG1' ' A' ' 55' ' ' THR . 30.9 p -74.4 20.21 0.12 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -90.27 -14.19 33.8 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 120.799 0.333 . . . . 0.0 110.724 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -161.27 147.63 14.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.495 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.8 t 62.34 32.26 17.01 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.63 177.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.483 ' OG1' ' HA ' ' A' ' 51' ' ' CYS . 1.3 m -114.59 30.77 7.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.928 0.394 . . . . 0.0 110.109 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.29 -152.12 0.4 Allowed 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -178.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -75.27 84.24 2.43 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 174.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.433 ' HE2' ' HB2' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -59.61 -43.37 93.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.987 -175.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -78.35 8.14 5.49 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.067 -177.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -162.22 59.83 0.23 Allowed 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.324 0.583 . . . . 0.0 109.854 176.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.401 ' CG2' ' HB1' ' A' ' 24' ' ' ALA . 27.8 m -69.62 155.59 93.23 Favored Pre-proline 0 C--O 1.244 0.766 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.681 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -53.46 129.56 34.33 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.571 2.18 . . . . 0.0 111.64 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.2 m -82.9 123.89 29.82 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -109.1 121.72 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.114 -179.002 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 54.8 mt -75.88 105.8 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.285 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.84 91.51 3.54 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.836 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.51 ' HB2' ' HG2' ' A' ' 74' ' ' LYS . 70.2 m -99.51 96.65 7.82 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-O 121.678 0.752 . . . . 0.0 111.133 -177.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.6 p -98.56 124.38 51.68 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.9 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.6 t -129.32 171.93 12.0 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.227 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.34 104.97 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.072 -177.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.7 mttp 69.9 0.9 3.23 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.952 0.901 . . . . 0.0 112.809 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -143.14 117.68 1.14 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.162 -1.018 . . . . 0.0 112.359 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.406 HG22 HG23 ' A' ' 68' ' ' VAL . 45.3 t -113.91 131.49 65.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-O 121.099 0.476 . . . . 0.0 110.487 -179.171 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.51 ' HG2' ' HB2' ' A' ' 67' ' ' SER . 0.2 OUTLIER -126.41 135.34 51.29 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.558 0.694 . . . . 0.0 111.085 -179.249 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.632 ' HB3' HD11 ' A' ' 64' ' ' ILE . 12.7 m-85 -110.82 117.53 33.66 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.551 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.2 mt -124.37 154.13 31.36 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.934 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.427 -175.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.651 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 27.5 t70 -80.47 150.71 29.6 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.02 -43.44 13.13 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.8 m -77.87 -49.84 13.44 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -175.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -91.3 -17.66 25.58 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 121.023 0.44 . . . . 0.0 110.316 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 58.2 mttm 61.47 23.57 13.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.055 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -74.71 138.81 43.02 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.546 -1.207 . . . . 0.0 109.351 178.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.464 HD11 ' HG3' ' A' ' 86' ' ' GLU . 9.7 tp -72.7 128.76 35.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.857 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 42.3 mm -85.65 -55.24 6.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -175.34 151.89 1.31 Allowed 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.375 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.464 ' HG3' HD11 ' A' ' 83' ' ' ILE . 3.6 mp0 -128.53 133.38 48.4 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.277 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -147.78 164.65 32.96 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.862 0.363 . . . . 0.0 110.67 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -88.16 165.27 15.21 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.052 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.3 mm -59.75 -30.4 44.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.02 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.444 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 1.4 mmp_? -63.41 -18.75 64.04 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.504 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 109' ' ' THR . 19.8 m120 -84.9 -25.83 27.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.782 0.325 . . . . 0.0 110.501 178.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 54.2 mt -89.39 107.19 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.2 t -102.04 -34.09 9.46 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.484 -177.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 33.6 m -127.69 110.45 12.67 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.967 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.71 97.67 7.36 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.0 -176.62 3.31 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.874 0.369 . . . . 0.0 110.551 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.521 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 5.1 pm0 -134.19 172.93 12.17 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.122 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.556 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 10.4 t70 -63.52 139.33 97.58 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.628 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -56.53 -39.52 90.73 Favored 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 123.434 2.756 . . . . 0.0 114.167 -178.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -105.74 -29.73 9.88 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -175.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.556 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 37.4 t70 -113.92 124.09 51.35 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.12 0.486 . . . . 0.0 111.715 -177.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -84.49 -1.31 55.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.934 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.7 t -96.89 13.61 28.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.32 0.581 . . . . 0.0 110.092 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.422 ' HB ' ' HB2' ' A' ' 98' ' ' ASP . 28.5 m -132.93 131.58 41.02 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.586 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.521 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 39.8 p90 -123.63 149.91 44.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.983 0.42 . . . . 0.0 111.061 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.75 125.99 16.51 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.067 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 41.8 p90 -120.12 141.71 49.57 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 121.038 0.447 . . . . 0.0 111.112 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.444 HD11 HG23 ' A' ' 40' ' ' THR . 31.5 mt -105.94 122.42 59.52 Favored 'Isoleucine or valine' 0 C--O 1.255 1.37 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.869 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 91' ' ' ASN . 13.4 p -111.12 130.0 55.76 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.151 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.54 112.25 24.07 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.159 0.504 . . . . 0.0 111.186 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -103.8 108.42 19.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.245 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.6 pp -68.76 -1.3 6.75 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -98.31 -18.99 18.05 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.749 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.463 ' O ' ' HB3' ' A' ' 115' ' ' ASN . 39.9 t -106.42 -28.83 10.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.463 ' HB3' ' O ' ' A' ' 114' ' ' SER . 34.7 t-20 77.39 -33.25 0.19 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -176.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.457 ' H ' ' C ' ' A' ' 114' ' ' SER . 54.2 m-70 -79.67 138.96 37.52 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.521 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -89.7 120.57 31.08 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.096 0.474 . . . . 0.0 110.609 -178.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -76.37 115.15 15.85 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.179 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 49.7 t -107.95 109.52 21.03 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 60.6 m-70 -105.27 116.08 31.34 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -178.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.18 126.09 67.42 Favored 'Isoleucine or valine' 0 C--O 1.25 1.096 0 CA-C-O 121.207 0.527 . . . . 0.0 110.33 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 24.8 m-85 -128.92 143.3 50.85 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.79 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.458 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 41.4 p -98.12 137.13 37.35 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.149 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -94.44 151.86 19.05 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -82.55 -1.73 51.52 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.471 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.441 ' HB3' ' HB2' ' A' ' 129' ' ' LEU . 12.7 t70 -159.83 147.36 16.76 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.905 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.98 -40.57 89.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.819 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.474 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 57.7 t30 -65.39 -36.85 85.21 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.441 ' HB2' ' HB3' ' A' ' 126' ' ' ASP . 2.2 tm? -59.95 -46.55 89.03 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.138 178.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.04 99.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.564 177.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.3 91.7 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.593 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.534 ' HB3' ' CE2' ' A' ' 21' ' ' TYR . 56.3 mm-40 -57.34 -49.85 74.84 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.596 177.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.0 mt -62.46 -47.41 93.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 21.0 mm -57.85 -46.93 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 120.834 0.349 . . . . 0.0 110.451 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.5 tt -59.53 -53.22 60.61 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.012 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 8.8 m -61.42 -46.5 89.88 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.549 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.2 -45.37 93.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.917 0.389 . . . . 0.0 110.78 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -61.99 -48.91 80.29 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.433 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.63 -39.1 93.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.549 0.214 . . . . 0.0 111.38 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.36 99.26 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.845 0.355 . . . . 0.0 110.58 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -69.24 -40.31 77.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.636 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -63.17 -55.61 23.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.786 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.99 -29.49 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.781 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -80.23 -11.62 59.71 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.896 0.379 . . . . 0.0 111.297 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -85.94 -20.04 29.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.195 0.522 . . . . 0.0 109.805 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 . . . . . 0 C--O 1.254 1.33 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.206 -178.362 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 77.23 5.97 3.13 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.634 0.774 . . . . 0.0 111.94 -179.409 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.7 tp -91.59 145.7 24.39 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 175.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.9 tt -56.15 -20.47 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -177.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.92 -4.19 15.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.691 0.281 . . . . 0.0 111.592 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -118.12 -5.48 10.94 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.137 0.494 . . . . 0.0 110.8 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.0 p -155.73 136.21 13.25 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.016 178.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 21' ' ' TYR . 87.3 m -109.18 109.29 20.21 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.325 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -104.38 106.05 16.4 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.152 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 19' ' ' CYS . 39.0 m-85 -129.89 178.38 6.56 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.619 0.247 . . . . 0.0 110.779 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -110.8 128.13 55.64 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.99 162.83 22.63 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.53 ' HB3' ' OG1' ' A' ' 123' ' ' THR . . . -102.32 129.14 48.67 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.435 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 2.9 t80 -73.6 95.09 2.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -176.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 tp -81.88 -57.75 3.29 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.356 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.56 163.66 30.23 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 118.933 -1.603 . . . . 0.0 114.023 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.7 p -118.51 102.84 9.21 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 176.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.5 tpp -98.71 134.33 41.78 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.63 -174.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.52 HD21 ' CG ' ' A' ' 116' ' ' HIS . 6.0 tt -90.68 121.18 32.35 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.886 -178.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' A' ' 39' ' ' SER . 17.0 mm -114.46 127.65 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.894 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -84.53 -40.22 17.87 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.888 0.375 . . . . 0.0 110.42 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -119.2 112.89 20.06 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.372 0.606 . . . . 0.0 110.794 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 117' ' ' HIS . 3.2 mm? -86.2 99.87 11.84 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.869 -177.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -94.68 81.4 3.85 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.16 -136.21 49.82 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.369 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.2 p -95.49 -7.69 37.39 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.156 0.503 . . . . 0.0 109.833 178.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -56.63 -39.14 73.13 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.361 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.423 ' HB3' HG21 ' A' ' 31' ' ' ILE . 26.1 m -62.41 -48.36 80.04 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-O 120.887 0.375 . . . . 0.0 111.11 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.3 p -63.69 -37.24 86.62 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.234 0.54 . . . . 0.0 110.397 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -74.74 -27.92 60.56 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.878 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.62 -52.41 60.97 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.04 95.02 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.54 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.559 ' SG ' ' HB2' ' A' ' 98' ' ' ASP . 42.2 t -59.15 -61.01 2.96 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.49 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.6 -40.05 74.64 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 120.666 0.27 . . . . 0.0 111.107 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -55.37 -55.37 32.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.719 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 61.6 mtm -75.94 -28.75 58.09 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -64.06 -45.21 89.78 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.901 0.382 . . . . 0.0 109.982 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.06 63.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.486 ' O ' ' HA ' ' A' ' 54' ' ' SER . 95.6 m-20 -91.02 -0.71 57.8 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.0 t -66.8 -37.36 84.4 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -79.34 127.08 31.64 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 173.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 53' ' ' LYS . 81.8 tttt 63.32 37.25 11.08 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -174.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 25.9 t -58.53 158.49 7.59 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 114.735 -1.121 . . . . 0.0 111.641 -178.173 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.6 m -53.27 -45.84 69.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.482 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -96.76 15.17 22.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.199 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 48.39 25.06 0.81 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.577 1.151 . . . . 0.0 112.872 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -89.26 114.93 26.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.701 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.658 ' HD3' ' H ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -104.39 -21.42 13.48 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.04 -177.065 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.52 ' O ' HG22 ' A' ' 61' ' ' VAL . 8.9 mtpm? -102.05 -32.61 10.07 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.963 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.524 ' HB ' ' HD2' ' A' ' 62' ' ' PRO . 3.9 m 57.48 155.98 0.08 OUTLIER Pre-proline 0 N--CA 1.492 1.654 0 C-N-CA 124.956 1.302 . . . . 0.0 113.163 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.524 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 6.4 Cg_endo -49.48 129.61 23.49 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 123.144 2.563 . . . . 0.0 113.29 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.1 m -83.99 128.33 34.47 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.28 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.544 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -119.12 131.88 70.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.642 -179.547 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 53.5 mt -77.56 109.76 12.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 CA-C-O 121.249 0.547 . . . . 0.0 109.767 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.93 97.13 10.77 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.525 -177.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.416 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . 34.4 m -104.35 104.93 14.89 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.395 0.616 . . . . 0.0 110.464 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' A' ' 19' ' ' CYS . 2.4 p -109.41 120.61 60.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.197 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 m -121.95 153.29 38.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.11 -13.34 47.05 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -119.15 20.88 12.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.855 0.36 . . . . 0.0 110.895 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 146.48 160.56 8.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 119.933 -1.127 . . . . 0.0 112.739 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.408 HG11 HD11 ' A' ' 92' ' ' ILE . 18.4 m -120.25 142.39 36.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-O 121.242 0.544 . . . . 0.0 111.453 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' HB2' ' HB2' ' A' ' 67' ' ' SER . 18.9 mmmt -128.01 120.74 28.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.096 -177.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.544 ' HB3' HD11 ' A' ' 64' ' ' ILE . 12.4 m-85 -114.92 111.23 20.85 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.4 ' O ' HG12 ' A' ' 64' ' ' ILE . 3.3 mp -119.71 145.09 26.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.735 -177.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.597 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 8.0 t70 -75.7 141.18 42.76 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.265 177.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.36 12.19 37.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.777 0.322 . . . . 0.0 111.809 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 m -98.98 -58.56 1.91 Allowed 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.308 0.575 . . . . 0.0 110.389 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -124.01 16.24 9.26 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.014 -178.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.597 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 11.3 ptmm? 53.56 30.08 10.18 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.616 1.167 . . . . 0.0 111.983 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -71.01 132.83 45.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.397 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.3 mm -68.85 111.55 3.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-O 120.896 0.379 . . . . 0.0 110.268 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.49 ' HB ' ' O ' ' A' ' 75' ' ' PHE . 47.7 mm -67.83 -63.31 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -175.22 141.09 0.53 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.607 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.43 140.11 47.44 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 173.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -140.6 152.38 45.42 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.296 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.41 153.01 44.22 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 174.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.0 tp -59.85 -40.17 81.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.771 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.8 mtt-85 -71.54 -3.53 21.78 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -72.61 -28.03 62.52 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.408 HD11 HG11 ' A' ' 73' ' ' VAL . 27.2 mt -79.94 130.47 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t -93.97 -40.48 10.1 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.746 -177.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.1 t -163.66 170.25 17.37 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.975 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.87 130.98 34.69 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.725 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.59 -178.46 5.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.41 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -152.92 165.29 35.95 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.825 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.675 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 14.1 t70 -64.24 141.78 98.19 Favored Pre-proline 0 N--CA 1.469 0.499 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -178.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 23.6 Cg_exo -63.95 -37.17 45.34 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.811 2.34 . . . . 0.0 113.453 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -108.11 -34.7 6.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -176.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.675 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 12.7 t70 -100.58 104.18 15.52 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.125 0.488 . . . . 0.0 110.243 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.03 0.7 34.62 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.744 -176.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.0 p -98.89 17.36 19.73 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.026 0.441 . . . . 0.0 110.591 177.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.0 m -132.48 118.27 19.09 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 122' ' ' PHE . 40.8 p90 -116.98 147.07 42.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.974 -178.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.9 111.34 7.53 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -107.5 143.44 35.89 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.049 0.452 . . . . 0.0 110.735 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 57.3 mt -98.1 125.34 51.39 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.205 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 64.0 p -119.35 164.95 14.93 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -110.98 135.91 50.78 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.019 178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -109.92 97.18 6.75 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.534 HD23 ' H ' ' A' ' 112' ' ' LEU . 2.5 pt? -61.92 -9.41 6.9 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -175.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.413 ' HD2' ' HG ' ' A' ' 112' ' ' LEU . 2.1 mptm? -92.15 -32.03 15.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.123 0.487 . . . . 0.0 110.448 177.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.4 t -91.57 -22.78 20.15 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 19.7 m120 66.15 28.23 10.22 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.798 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.52 ' CG ' HD21 ' A' ' 30' ' ' LEU . 36.0 m80 -129.42 170.08 14.12 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.697 -178.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.461 ' HB2' HD21 ' A' ' 34' ' ' LEU . 12.3 m170 -103.75 124.29 48.62 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.7 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -104.47 119.2 38.42 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.806 -178.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 23.0 p -91.35 108.13 19.68 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.435 ' HB3' ' CE2' ' A' ' 122' ' ' PHE . 66.0 m80 -89.92 104.86 17.39 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.99 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.6 p -104.18 126.83 58.81 Favored 'Isoleucine or valine' 0 C--O 1.25 1.086 0 CA-C-O 121.543 0.687 . . . . 0.0 110.87 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 98.9 m-85 -127.5 145.88 50.69 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.199 -178.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.53 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 5.1 p -99.09 130.97 45.45 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.36 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.52 144.67 26.39 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -81.05 2.17 28.28 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.357 0.599 . . . . 0.0 109.882 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.473 ' HB3' ' HB2' ' A' ' 129' ' ' LEU . 17.7 t70 -151.99 131.46 12.98 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.894 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.24 -45.39 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-O 121.026 0.441 . . . . 0.0 111.187 -178.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.615 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 3.6 t30 -61.3 -44.42 97.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.019 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.516 HD21 ' CG ' ' A' ' 21' ' ' TYR . 3.2 tm? -54.36 -45.3 72.74 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.32 179.164 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.22 95.51 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.456 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.11 -38.99 88.27 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.942 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 128' ' ' ASN . 7.1 mm-40 -60.3 -48.83 80.06 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.309 178.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.47 -46.0 89.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.914 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.445 HD11 ' HB2' ' A' ' 105' ' ' PHE . 37.2 mm -60.34 -43.99 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.056 0.455 . . . . 0.0 110.215 177.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.17 -43.76 98.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.025 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 27.7 m -61.66 -49.81 75.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.714 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.76 -44.77 96.32 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.062 0.458 . . . . 0.0 110.39 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.01 -45.24 94.03 Favored Glycine 0 N--CA 1.443 -0.833 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.14 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLN . . . . . 0.445 ' HA ' ' HB2' ' A' ' 142' ' ' GLU . 86.2 mm-40 -70.02 -28.61 65.63 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 120.39 0.138 . . . . 0.0 111.255 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.93 97.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.946 0.403 . . . . 0.0 109.967 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -72.15 -41.92 66.55 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.473 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 139' ' ' GLN . 9.0 mm-40 -58.37 -48.21 81.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.894 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.7 p -68.97 -10.25 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-O 120.989 0.424 . . . . 0.0 111.38 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -84.0 -20.34 32.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.17 0.509 . . . . 0.0 110.125 177.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -103.18 -44.69 5.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.588 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 . . . . . 0 C--O 1.252 1.232 0 CA-C-O 118.596 -0.716 . . . . 0.0 110.926 -178.18 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.599 0.238 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -74.11 121.77 21.67 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -31.55 72.77 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -175.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.537 HD13 ' N ' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -64.21 134.21 29.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 110.127 -0.324 . . . . 0.0 110.127 -178.317 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.537 ' N ' HD13 ' A' ' 15' ' ' ILE . . . 74.29 -25.43 0.2 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.675 0.79 . . . . 0.0 112.726 178.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -99.25 -10.88 21.83 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.102 0.477 . . . . 0.0 110.34 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.7 t -161.91 164.04 28.8 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.504 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.411 ' SG ' HG21 ' A' ' 136' ' ' THR . 31.0 p -158.63 152.32 23.31 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.296 175.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -137.6 115.86 11.81 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.102 -177.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -133.17 175.97 8.92 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.716 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.441 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -111.14 110.68 21.31 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.221 0.534 . . . . 0.0 110.359 177.437 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.89 171.03 7.63 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.252 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.03 130.43 55.48 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.27 97.18 1.2 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.032 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.434 HD13 ' OG1' ' A' ' 123' ' ' THR . 14.2 tp -80.2 -60.07 2.47 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.322 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.422 ' HA3' ' SD ' ' A' ' 47' ' ' MET . . . -170.97 156.21 26.14 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 119.56 -1.305 . . . . 0.0 113.621 178.207 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t -123.66 105.51 9.77 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -113.58 138.63 49.9 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.028 0.442 . . . . 0.0 111.769 -175.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 116' ' ' HIS . 51.2 tp -108.47 127.55 54.01 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.564 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -108.82 136.28 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -54.68 -67.44 0.27 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.577 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -142.33 126.67 17.65 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.551 HD13 ' H ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -157.34 153.31 27.15 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -175.515 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.551 ' H ' HD13 ' A' ' 34' ' ' LEU . 37.7 ptt180 -134.47 145.94 49.3 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.8 0.333 . . . . 0.0 110.684 177.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.69 -177.13 52.45 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.967 -0.635 . . . . 0.0 113.25 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.435 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 7.9 p -75.29 8.33 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.286 0.634 . . . . 0.0 111.633 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.527 ' HB3' HD11 ' A' ' 34' ' ' LEU . 47.4 tp10 -61.45 -36.49 80.52 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.15 178.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 m -62.93 -44.95 94.69 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-O 121.063 0.459 . . . . 0.0 110.83 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.562 ' HA ' ' SG ' ' A' ' 119' ' ' CYS . 44.9 p -67.68 -52.57 36.31 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.512 -176.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 37' ' ' THR . 19.8 pt20 -63.54 -37.55 87.72 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -64.29 -62.01 1.88 Allowed 'General case' 0 C--O 1.242 0.7 0 CA-C-O 120.919 0.39 . . . . 0.0 110.835 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.17 98.22 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.012 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 98' ' ' ASP . 42.8 t -63.71 -50.72 68.06 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.217 -178.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.79 -43.46 85.63 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.742 0.306 . . . . 0.0 111.017 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -57.15 -53.82 53.8 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.965 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.422 ' SD ' ' HA3' ' A' ' 27' ' ' GLY . 66.0 mtm -72.98 -28.29 62.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -177.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.537 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 9.6 tpt180 -61.87 -50.93 70.25 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.82 -38.19 90.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.755 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -69.47 -29.33 66.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.666 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.1 t -76.95 -42.57 38.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.043 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 14.4 pt20 -77.39 82.3 3.85 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.552 0.692 . . . . 0.0 111.686 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -91.28 -2.42 57.42 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.226 176.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.7 t -148.55 -173.76 4.42 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 115.021 -0.99 . . . . 0.0 108.938 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.5 m -78.99 -58.66 3.12 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.086 0.469 . . . . 0.0 111.871 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' HB3' ' CE ' ' A' ' 58' ' ' MET . 7.8 tp10 -62.51 155.46 25.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.62 -176.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -68.29 103.85 1.7 Allowed 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.636 176.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.447 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 22.4 mmt -92.53 112.89 25.0 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.976 -176.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -84.26 76.47 10.1 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.298 0.57 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -95.48 14.18 23.54 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.706 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.9 m -121.6 155.16 59.94 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.213 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.3 153.98 24.58 Favored 'Trans proline' 0 C--O 1.239 0.534 0 C-N-CA 122.448 2.098 . . . . 0.0 112.256 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.8 m -86.87 136.57 32.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.662 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.455 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -126.39 129.14 71.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.833 -179.291 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.437 ' H ' HD12 ' A' ' 65' ' ' ILE . 4.3 mp -73.78 112.57 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.63 98.3 11.59 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.136 -179.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -109.41 108.75 19.4 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-O 121.271 0.558 . . . . 0.0 110.002 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.464 HG21 HD23 ' A' ' 137' ' ' LEU . 2.2 p -120.0 126.19 75.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.574 -177.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.8 m -130.62 157.74 41.93 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.562 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.36 -11.28 30.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.807 0.337 . . . . 0.0 111.792 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -107.02 -6.06 17.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.485 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 164.36 161.55 13.66 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.215 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.482 HG11 HD11 ' A' ' 92' ' ' ILE . 8.7 p -132.83 131.78 59.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-O 120.978 0.418 . . . . 0.0 110.302 -178.146 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HG3' ' HG3' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -122.53 141.23 51.89 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.119 0.485 . . . . 0.0 111.233 -177.608 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.455 ' HB3' HD11 ' A' ' 64' ' ' ILE . 10.0 m-85 -126.35 105.73 9.0 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.163 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.442 ' O ' HG12 ' A' ' 64' ' ' ILE . 3.3 mp -122.24 140.19 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.699 -178.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.651 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -74.96 147.05 41.19 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.828 178.828 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.38 -18.0 24.96 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.705 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -67.06 -65.03 0.73 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.07 -178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -118.48 3.92 11.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 59.8 mttp 68.93 33.53 3.49 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.971 -177.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -66.92 130.35 42.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.196 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.8 tp -81.17 105.33 10.95 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 121.281 0.562 . . . . 0.0 110.581 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.2 mp -67.25 -51.25 55.12 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.4 ' HB1' ' NE2' ' A' ' 87' ' ' HIS . . . -170.66 151.79 3.63 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.145 0.498 . . . . 0.0 112.082 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.421 ' HG3' ' HG3' ' A' ' 74' ' ' LYS . 34.4 tt0 -134.89 115.59 13.78 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.4 ' NE2' ' HB1' ' A' ' 85' ' ' ALA . 84.6 m-70 -137.6 166.43 23.94 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.915 0.388 . . . . 0.0 110.5 -177.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.492 ' HB3' ' OD1' ' A' ' 91' ' ' ASN . 43.4 tt0 -81.13 149.51 29.12 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 173.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.547 ' O ' HD13 ' A' ' 89' ' ' ILE . 0.1 OUTLIER -58.63 -32.43 46.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-O 121.222 0.534 . . . . 0.0 110.139 -177.783 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.458 ' H ' ' HG2' ' A' ' 88' ' ' GLU . 35.1 ttm105 -62.59 -21.76 65.86 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.456 178.095 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.492 ' OD1' ' HB3' ' A' ' 88' ' ' GLU . 16.1 m120 -73.96 -12.67 60.71 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.715 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.482 HD11 HG11 ' A' ' 73' ' ' VAL . 29.3 mt -85.39 102.03 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.3 t -69.73 -34.1 73.39 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.652 -175.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.7 t -153.37 135.93 15.15 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.113 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.07 118.03 31.74 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.89 -174.02 3.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 21.1 pt20 -147.18 173.79 12.2 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.644 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 15.4 t70 -69.08 138.36 89.81 Favored Pre-proline 0 C--N 1.326 -0.439 0 C-N-CA 121.001 -0.279 . . . . 0.0 110.821 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 31.1 Cg_exo -60.74 -30.02 89.47 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 123.065 2.51 . . . . 0.0 114.372 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -113.66 -33.87 5.7 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -176.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.644 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 16.9 t70 -110.0 109.99 20.76 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.243 0.544 . . . . 0.0 110.651 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.37 15.79 4.16 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.057 -176.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t -99.75 1.49 43.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.983 0.421 . . . . 0.0 110.109 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.487 HG23 ' HB2' ' A' ' 98' ' ' ASP . 8.8 t -132.73 132.47 42.34 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.34 0.59 . . . . 0.0 110.588 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.419 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 42.2 p90 -114.16 149.86 35.04 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.913 -177.165 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 121' ' ' VAL . . . -138.09 123.76 19.81 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.859 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 55.0 p90 -121.11 143.19 49.22 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 121.151 0.501 . . . . 0.0 111.156 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.459 HG21 ' CE1' ' A' ' 117' ' ' HIS . 30.7 mt -98.05 124.63 51.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.042 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.96 152.6 27.88 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.879 -173.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -137.15 119.09 15.27 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.464 ' OD1' ' HD3' ' A' ' 113' ' ' LYS . 7.2 t70 -149.96 175.65 11.49 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -175.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -23.51 63.85 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.991 0.424 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.527 ' HD3' ' H ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -109.86 18.36 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.718 0.77 . . . . 0.0 109.462 174.714 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.7 m -149.68 54.69 0.95 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.912 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -68.43 -27.28 66.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.879 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.506 ' HB2' HD11 ' A' ' 30' ' ' LEU . 79.6 m-70 -90.9 174.6 7.35 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.702 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.459 ' CE1' HG21 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -74.17 92.15 2.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.905 0.383 . . . . 0.0 111.696 -176.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.425 ' CE1' HD13 ' A' ' 30' ' ' LEU . 11.2 m-85 -87.38 118.56 26.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.79 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.562 ' SG ' ' HA ' ' A' ' 40' ' ' THR . 45.1 t -103.38 105.12 15.31 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 50.4 m80 -104.92 112.6 25.78 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.649 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.409 ' HA ' ' HA ' ' A' ' 106' ' ' ALA . 3.8 p -116.37 127.46 73.97 Favored 'Isoleucine or valine' 0 C--O 1.248 1.008 0 CA-C-O 121.345 0.593 . . . . 0.0 111.3 -178.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 27.5 m-85 -125.71 135.07 51.69 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.823 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.434 ' OG1' HD13 ' A' ' 26' ' ' LEU . 86.1 m -95.76 121.52 37.57 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.617 -177.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' A' ' 130' ' ' ALA . . . -87.51 148.03 25.1 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -72.06 -33.31 67.85 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.479 ' HB2' ' HB2' ' A' ' 129' ' ' LEU . 16.4 m-20 -113.99 134.82 54.59 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.261 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.48 -37.52 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.337 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -70.55 -31.02 67.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.123 0.487 . . . . 0.0 109.856 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 126' ' ' ASP . 7.2 tt -67.65 -41.85 83.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.056 177.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.425 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . . . -61.36 -45.12 95.72 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.033 177.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.63 -38.69 85.61 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.795 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.16 -46.53 88.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.187 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 63.0 mt -60.35 -44.21 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.634 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.82 -42.25 91.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 110.455 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.3 tt -65.25 -44.46 88.06 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.411 HG21 ' SG ' ' A' ' 19' ' ' CYS . 25.6 m -61.09 -51.17 70.28 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.471 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.464 HD23 HG21 ' A' ' 68' ' ' VAL . 92.3 mt -55.98 -48.87 75.05 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.925 0.393 . . . . 0.0 110.681 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.78 -49.14 80.79 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.847 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -68.94 -35.39 76.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.938 0.399 . . . . 0.0 111.161 -178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 143' ' ' VAL . . . -68.2 -33.37 74.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.174 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -82.37 -37.69 25.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.254 0.55 . . . . 0.0 109.999 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.13 -35.62 81.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.327 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 140' ' ' ALA . 9.9 p -67.64 -16.04 20.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-O 120.96 0.41 . . . . 0.0 111.477 -178.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -87.16 -12.54 46.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.26 0.552 . . . . 0.0 110.253 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -109.07 -47.39 3.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.157 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 . . . . . 0 C--N 1.317 -0.824 0 CA-C-O 118.528 -0.749 . . . . 0.0 109.91 179.728 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.912 0.387 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -77.16 138.27 39.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.24 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 mp -72.47 -39.09 68.0 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.256 -176.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -67.47 0.61 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.79 -2.9 12.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.957 0.408 . . . . 0.0 110.623 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -129.66 -13.93 4.17 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 111.113 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 m -119.73 159.69 24.01 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.973 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.8 m -98.65 98.03 9.23 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.5 97.55 11.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -97.46 173.1 7.34 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.915 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -134.37 129.43 35.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.791 0.329 . . . . 0.0 110.29 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -138.28 176.06 9.03 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.713 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -99.89 122.93 43.57 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 178.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.05 92.71 2.17 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.483 ' HB3' HG13 ' A' ' 121' ' ' VAL . 38.2 tp -66.18 -51.98 52.62 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.856 -178.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' O ' HG12 ' A' ' 121' ' ' VAL . . . 173.34 148.37 6.34 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 118.905 -1.617 . . . . 0.0 114.266 176.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 p -98.5 89.89 4.57 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 174.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.1 tpp -90.09 140.71 29.39 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.384 -173.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.44 HD13 ' CE1' ' A' ' 118' ' ' TYR . 20.6 tp -93.87 127.99 39.91 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.742 -177.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.547 HD11 ' SG ' ' A' ' 119' ' ' CYS . 27.5 mm -104.37 122.79 57.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.039 -177.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -66.75 -26.94 67.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.417 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.451 ' H ' HG22 ' A' ' 31' ' ' ILE . 9.6 pt-20 -140.48 106.37 5.17 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.196 0.522 . . . . 0.0 110.522 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.521 HD13 ' H ' ' A' ' 36' ' ' GLY . 0.6 OUTLIER -74.9 95.12 2.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.313 0.577 . . . . 0.0 109.755 -178.37 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.451 ' HD2' ' OE1' ' A' ' 33' ' ' GLU . 29.9 mtp180 -100.69 36.58 1.89 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.527 -177.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.521 ' H ' HD13 ' A' ' 34' ' ' LEU . . . 75.82 -142.47 28.77 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.468 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.6 p -70.41 -16.6 62.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.294 0.569 . . . . 0.0 110.952 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -56.92 -42.59 80.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.589 176.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.455 ' HB3' HG21 ' A' ' 31' ' ' ILE . 1.1 m -60.05 -50.42 73.78 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.292 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.8 p -63.94 -39.74 94.84 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.151 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -67.95 -40.5 83.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.449 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 46' ' ' LYS . 26.9 t70 -62.13 -49.89 74.08 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.118 0.485 . . . . 0.0 110.018 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.06 85.4 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.588 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 33.7 t -59.94 -55.2 37.08 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.904 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.02 -41.65 83.63 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.922 0.391 . . . . 0.0 110.967 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 15.4 ttmm -57.66 -59.22 5.52 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.644 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 46.5 mtm -66.4 -37.11 84.5 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.716 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.6 ttt-85 -57.71 -49.26 77.13 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.573 ' O ' ' HG2' ' A' ' 53' ' ' LYS . . . -64.24 -42.71 96.42 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.863 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -66.94 -33.22 75.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.687 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 48.7 t -78.67 -30.04 46.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.688 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 5.3 pp0? -79.86 -11.2 59.83 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.965 0.412 . . . . 0.0 111.258 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 29.8 mmmt -73.37 -177.16 2.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.4 m -79.43 70.01 5.79 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.334 0.587 . . . . 0.0 109.522 176.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.5 m -118.24 101.38 8.16 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.438 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -72.62 -16.07 61.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.503 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.93 -26.6 67.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.037 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -149.98 105.47 3.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.424 0.63 . . . . 0.0 111.394 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -134.3 -38.52 0.85 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.415 178.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -136.13 92.03 2.75 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.093 176.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.713 HG23 ' HB1' ' A' ' 24' ' ' ALA . 28.0 m -76.25 150.39 82.8 Favored Pre-proline 0 C--N 1.307 -1.257 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.262 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -53.32 139.89 63.43 Favored 'Trans proline' 0 C--O 1.239 0.552 0 C-N-CA 123.164 2.576 . . . . 0.0 113.508 -177.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.7 m -76.29 140.58 41.58 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.504 178.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.8 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -131.9 139.0 51.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.148 -177.015 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 65' ' ' ILE . 3.6 mp -86.1 111.92 21.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.305 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.3 mt -95.98 97.68 9.8 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.482 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.3 t -100.47 119.69 38.86 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-O 121.24 0.543 . . . . 0.0 110.651 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 p -117.35 131.39 70.22 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.755 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.9 p -142.39 176.78 8.74 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.544 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.62 113.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HA ' ' CG2' ' A' ' 89' ' ' ILE . 0.0 OUTLIER 51.6 21.92 1.44 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.663 1.185 . . . . 0.0 113.641 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -149.14 136.38 5.78 Favored Glycine 0 CA--C 1.512 -0.148 0 C-N-CA 120.035 -1.079 . . . . 0.0 112.741 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.7 m -138.96 137.74 42.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-O 121.217 0.532 . . . . 0.0 111.1 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.504 ' CD ' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -139.16 142.36 37.98 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.112 0.482 . . . . 0.0 110.975 178.336 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.8 ' HB3' HD11 ' A' ' 64' ' ' ILE . 18.8 m-85 -129.4 120.45 25.54 Favored 'General case' 0 C--O 1.25 1.122 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.594 -173.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.504 HD11 ' CD ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER -125.0 144.19 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.568 -179.025 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.593 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 1.2 t70 -73.18 144.71 46.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.236 176.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.74 -13.13 29.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.79 0.328 . . . . 0.0 111.871 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 m -70.62 -58.89 3.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.898 0.38 . . . . 0.0 111.069 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -126.01 7.82 7.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.625 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 61.9 tttm 64.33 55.75 1.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.679 0.752 . . . . 0.0 110.282 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.422 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 28.2 t-20 -84.8 130.22 34.7 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.443 179.096 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.6 mt -72.48 93.5 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 177.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.9 mt -76.09 -58.37 4.61 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.986 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.1 139.89 11.32 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.87 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -145.71 109.91 4.95 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.866 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -147.28 171.64 15.1 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 -177.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -67.08 159.66 28.32 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.422 ' CG2' ' HA ' ' A' ' 71' ' ' LYS . 12.5 tt -65.35 -19.24 25.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.582 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -63.73 -17.53 63.11 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.294 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -68.25 -26.16 65.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.04 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.0 mt -91.93 117.44 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.718 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.6 t -92.46 -25.41 18.45 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.833 -177.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 25.9 t -152.04 150.48 30.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.923 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -139.07 115.8 10.73 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.29 150.83 51.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.018 0.437 . . . . 0.0 111.059 -178.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -115.46 159.51 21.09 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.521 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 10.1 t70 -71.97 124.45 90.89 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.897 0.379 . . . . 0.0 111.815 -176.105 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 23.2 Cg_exo -65.87 -34.71 38.4 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.954 2.436 . . . . 0.0 113.745 -178.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.483 ' HG2' ' OD1' ' A' ' 98' ' ' ASP . 11.0 pt-20 -94.07 -17.57 22.71 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.848 0.356 . . . . 0.0 111.64 -176.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.521 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 8.3 t70 -133.55 107.33 7.94 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.218 0.533 . . . . 0.0 110.161 177.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.12 7.59 6.01 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.335 -176.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.1 t -110.88 14.07 22.14 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.021 -178.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.409 HG23 ' CB ' ' A' ' 98' ' ' ASP . 5.9 t -145.43 156.75 43.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.827 0.346 . . . . 0.0 110.633 178.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -154.82 171.61 19.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.61 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -155.32 129.7 9.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.701 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -115.71 157.75 23.82 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.162 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 63.3 mt -113.7 125.85 71.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.626 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.89 152.12 22.32 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.744 177.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.421 ' O ' ' HD3' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -103.34 93.13 4.8 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.54 0.685 . . . . 0.0 111.949 -179.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.585 ' OD2' ' HB2' ' A' ' 114' ' ' SER . 8.0 p-10 -84.93 81.98 8.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.195 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.7 tp -70.84 -5.39 30.07 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.153 0.501 . . . . 0.0 110.593 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -93.29 -8.22 42.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.18 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.585 ' HB2' ' OD2' ' A' ' 111' ' ' ASP . 45.0 m -128.0 -32.16 2.32 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.329 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 16.6 m120 74.06 15.68 3.69 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 175.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -130.1 98.19 4.67 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 176.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.473 ' HA ' ' OD1' ' A' ' 111' ' ' ASP . 67.8 m-70 -63.79 130.88 45.99 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -171.304 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.44 ' CE1' HD13 ' A' ' 30' ' ' LEU . 83.8 m-85 -94.21 150.53 20.22 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.321 -1.309 . . . . 0.0 110.513 177.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.547 ' SG ' HD11 ' A' ' 31' ' ' ILE . 26.6 p -117.46 113.25 21.77 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 171.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -94.99 104.5 16.37 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -176.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.483 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.3 p -99.1 131.69 45.88 Favored 'Isoleucine or valine' 0 C--O 1.254 1.313 0 CA-C-O 121.3 0.571 . . . . 0.0 111.146 -178.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -132.96 133.41 43.15 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.714 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.6 t -107.76 135.44 49.17 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 130' ' ' ALA . . . -100.4 151.87 21.02 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.406 -178.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -86.01 11.67 11.09 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.473 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -156.82 135.89 11.91 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.78 -53.12 45.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.634 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -61.77 -39.64 92.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.653 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.523 ' O ' HG13 ' A' ' 133' ' ' ILE . 2.8 tm? -58.03 -48.52 79.82 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.733 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.457 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . . . -61.47 -43.96 97.94 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 178.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.98 94.12 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.786 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -60.02 -42.99 95.53 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.107 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 129' ' ' LEU . 64.4 mt -56.83 -54.37 30.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.575 178.307 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 40.9 mm -59.3 -45.57 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.3 tt -60.29 -45.61 92.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.803 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.2 m -65.48 -41.79 92.93 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.454 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.03 -49.01 79.12 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.253 177.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.18 -44.23 97.6 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.284 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -61.35 -50.45 72.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.911 0.386 . . . . 0.0 110.427 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.02 98.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.177 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -70.18 -25.74 63.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.619 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -76.6 -53.64 7.77 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.551 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 12.8 p -66.51 -27.68 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.412 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -75.57 -12.98 60.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.7 0.286 . . . . 0.0 111.477 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -89.2 -27.83 20.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.042 0.449 . . . . 0.0 110.334 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 . . . . . 0 C--O 1.25 1.107 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.842 -178.751 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 C--O 1.237 0.424 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.591 ' SG ' HG13 ' A' ' 68' ' ' VAL . 30.2 p -124.58 140.96 52.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.91 0.386 . . . . 0.0 110.34 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -124.93 116.93 22.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.872 -177.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -132.23 166.51 21.7 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.062 0.458 . . . . 0.0 111.684 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -101.08 108.52 20.24 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.58 177.96 4.7 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.74 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -123.38 123.64 41.14 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 176.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.436 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -72.71 102.53 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.649 0.261 . . . . 0.0 110.373 -176.555 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.413 ' HA ' HG21 ' A' ' 61' ' ' VAL . 31.1 tp -78.32 -58.93 3.0 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.415 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.46 155.09 21.64 Favored Glycine 0 N--CA 1.438 -1.206 0 C-N-CA 119.031 -1.557 . . . . 0.0 113.937 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.421 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 8.7 p -110.35 95.8 5.8 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 175.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 tpp -88.25 127.53 35.46 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.021 0.439 . . . . 0.0 111.939 -174.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.425 HD23 ' CE1' ' A' ' 118' ' ' TYR . 3.1 tm? -81.86 123.69 29.04 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.586 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.8 mm -108.73 127.52 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.53 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -67.57 -60.77 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.5 127.62 53.21 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.631 HD13 ' H ' ' A' ' 36' ' ' GLY . 2.8 tm? -77.98 110.94 13.34 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.52 -176.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.458 ' HD3' ' OE2' ' A' ' 38' ' ' GLU . 30.9 mtp180 -107.2 28.33 8.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.241 0.543 . . . . 0.0 110.642 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.631 ' H ' HD13 ' A' ' 34' ' ' LEU . . . 87.88 -144.18 18.66 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.816 177.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.3 p -69.69 -12.46 61.65 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 122.613 0.365 . . . . 0.0 111.618 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.458 ' OE2' ' HD3' ' A' ' 35' ' ' ARG . 36.2 tt0 -60.35 -43.51 96.43 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -62.8 -41.64 99.37 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.058 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.9 p -70.44 -41.78 72.41 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.766 0.317 . . . . 0.0 111.217 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -65.4 -42.52 92.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.781 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.69 -49.4 76.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.548 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.6 -46.72 89.21 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.897 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 42.0 t -60.83 -60.32 3.98 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.57 -50.74 71.03 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -59.52 -51.51 69.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.222 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.442 ' HE1' ' CG1' ' A' ' 121' ' ' VAL . 20.6 ttp -70.92 -40.78 71.89 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -176.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 44' ' ' CYS . 16.6 ptm180 -63.41 -36.73 84.7 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.77 -29.88 58.93 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 121.057 0.456 . . . . 0.0 110.291 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -77.16 -20.77 55.03 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.203 0.525 . . . . 0.0 110.367 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.6 t . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.406 -179.234 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.74 HG23 ' HB1' ' A' ' 24' ' ' ALA . 2.8 m . . . . . 0 CA--C 1.536 0.407 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 4.0 Cg_endo -46.26 137.74 13.87 Favored 'Trans proline' 0 C--N 1.366 1.498 0 C-N-CA 124.018 3.145 . . . . 0.0 113.568 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.0 m -79.74 135.22 36.46 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.969 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -134.0 133.97 55.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 C-N-CA 123.857 0.863 . . . . 0.0 108.887 179.363 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.8 mt -77.58 107.43 9.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-O 121.318 0.58 . . . . 0.0 110.003 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.71 103.48 15.99 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.01 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.415 ' HB3' ' HG2' ' A' ' 74' ' ' LYS . 1.9 t -111.51 116.6 31.14 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 121.28 0.562 . . . . 0.0 110.012 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.591 HG13 ' SG ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -119.75 129.03 75.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.8 -177.492 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.5 t -131.61 160.55 35.02 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.637 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.82 -11.32 60.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.139 0.495 . . . . 0.0 110.903 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -101.29 -11.07 19.75 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.706 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.443 ' HA2' ' N ' ' A' ' 89' ' ' ILE . . . 159.59 162.01 11.78 Favored Glycine 0 CA--C 1.5 -0.848 0 C-N-CA 119.746 -1.216 . . . . 0.0 112.684 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.4 HG22 HG23 ' A' ' 68' ' ' VAL . 60.3 t -119.76 133.2 67.29 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.132 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.415 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -127.1 137.17 52.95 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 121.493 0.663 . . . . 0.0 111.694 -178.405 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.488 ' O ' ' HB ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -114.17 115.71 27.91 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.229 -178.605 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.47 ' O ' HG12 ' A' ' 64' ' ' ILE . 4.4 mp -122.57 138.64 52.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.554 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 20.3 t70 -70.08 140.99 52.84 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.83 -20.76 28.66 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.0 m -89.34 -54.56 4.04 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 120.87 0.366 . . . . 0.0 111.593 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -103.58 8.23 37.62 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.554 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 14.0 ptmm? 49.78 27.06 2.11 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.906 0.882 . . . . 0.0 111.251 -177.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.439 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 50.8 t-20 -61.23 124.67 21.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.519 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 83' ' ' ILE . 7.3 tp -75.7 82.52 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-O 121.913 0.863 . . . . 0.0 109.301 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.488 ' HB ' ' O ' ' A' ' 75' ' ' PHE . 67.8 mt -56.72 -58.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.07 -177.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -174.12 145.54 1.07 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -121.75 108.11 13.13 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 174.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -120.21 144.22 47.84 Favored 'General case' 0 C--N 1.308 -1.202 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.145 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -59.87 144.96 47.38 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.944 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.458 HD13 ' O ' ' A' ' 89' ' ' ILE . 0.3 OUTLIER -63.48 -24.1 35.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.451 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -67.99 -12.89 61.63 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.028 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -89.76 -14.69 34.04 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.295 0.569 . . . . 0.0 110.135 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.417 ' HA ' HG22 ' A' ' 109' ' ' THR . 25.5 mt -85.58 132.61 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.3 t -98.6 -43.47 6.83 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.665 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.46 ' HB2' HG12 ' A' ' 108' ' ' ILE . 50.5 m -152.78 155.21 36.72 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.368 -178.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.11 116.17 15.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.398 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -123.1 179.1 4.8 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.613 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -145.34 170.32 16.54 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.533 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 11.2 t70 -70.08 134.84 87.33 Favored Pre-proline 0 C--N 1.319 -0.738 0 O-C-N 123.144 0.278 . . . . 0.0 110.283 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.28 -34.1 87.19 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.318 2.678 . . . . 0.0 114.044 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -114.22 -21.98 10.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.533 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 9.9 t70 -109.23 95.98 5.99 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.9 11.77 3.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.383 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.5 t -107.11 8.05 29.98 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-O 121.752 0.787 . . . . 0.0 108.903 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.1 m -127.17 120.64 29.28 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.864 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 122' ' ' PHE . 36.4 p90 -118.36 141.04 48.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.949 0.404 . . . . 0.0 111.523 -177.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -137.07 116.2 12.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.275 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -116.98 151.55 36.47 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 121.042 0.449 . . . . 0.0 111.492 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.46 HG12 ' HB2' ' A' ' 94' ' ' CYS . 0.0 OUTLIER -107.52 133.94 50.76 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.95 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.935 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.417 HG22 ' HA ' ' A' ' 92' ' ' ILE . 6.0 p -118.96 165.59 13.9 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.6 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -101.42 85.79 2.85 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 173.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.54 94.75 1.73 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.723 -177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.6 mt -58.16 -36.77 73.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.297 -1.319 . . . . 0.0 113.05 -174.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -75.82 -15.25 60.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.943 0.402 . . . . 0.0 111.442 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.1 m -103.72 -19.32 14.35 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.573 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 61.47 23.24 13.53 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.62 0.724 . . . . 0.0 109.942 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -140.05 -169.48 2.75 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.707 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -127.14 123.64 37.25 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.184 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.425 ' CE1' HD23 ' A' ' 30' ' ' LEU . 34.7 m-85 -100.81 126.74 47.41 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.705 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 90.4 m -83.28 102.75 12.16 Favored 'General case' 0 N--CA 1.433 -1.323 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -89.29 104.64 17.17 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.442 ' CG1' ' HE1' ' A' ' 47' ' ' MET . 3.3 p -112.93 128.85 69.45 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.415 -177.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 43.4 m-85 -126.67 148.39 49.84 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.446 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 66.6 p -104.86 123.51 47.83 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.39 168.72 16.32 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.239 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -102.26 11.62 37.9 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -162.6 140.43 8.35 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.425 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.84 -51.69 63.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.561 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -58.5 -40.07 81.8 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.961 0.41 . . . . 0.0 110.089 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.7 tt -56.53 -53.0 62.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.025 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.47 -46.76 87.02 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.22 83.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.999 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -64.03 -44.53 92.27 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.008 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.0 mt -58.43 -46.78 89.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.37 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.505 HD11 ' HB2' ' A' ' 105' ' ' PHE . 31.4 mm -55.73 -48.41 77.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.058 0.456 . . . . 0.0 110.482 177.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.74 -43.83 92.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.621 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.4 m -63.16 -41.51 99.26 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.372 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 85.8 mt -63.8 -50.29 69.53 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.016 0.436 . . . . 0.0 110.379 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.2 -46.3 94.5 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.317 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -61.76 -42.96 99.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 0.0 110.61 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.43 -47.61 84.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.993 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -67.1 -36.86 82.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.595 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.67 -47.92 76.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.5 p -72.06 -26.4 25.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.266 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 121.043 0.449 . . . . 0.0 110.589 178.776 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.5 p . . . . . 0 N--CA 1.444 -0.746 0 CA-C-O 120.894 0.378 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.7 t -115.71 108.52 16.47 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -92.66 104.85 17.09 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.618 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -112.79 172.34 6.99 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.394 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -116.84 112.6 21.33 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.02 177.6 4.76 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.538 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -117.44 131.13 56.8 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.443 178.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -72.86 98.4 2.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.388 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.4 tp -78.4 -62.19 1.76 Allowed 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.21 152.78 12.48 Favored Glycine 0 N--CA 1.439 -1.144 0 C-N-CA 118.782 -1.675 . . . . 0.0 114.14 176.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p -104.11 112.54 25.58 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 173.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.2 tpp -104.64 139.24 39.78 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -173.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -82.36 116.9 22.05 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.6 mm -96.39 114.6 33.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-O 121.103 0.477 . . . . 0.0 111.245 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.477 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 30.2 mtmm -90.36 -50.08 6.17 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 14.8 mp0 -93.08 97.86 10.96 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.353 178.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 34' ' ' LEU . 1.9 tm? -78.41 98.06 5.88 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 2.3 ptm85 -122.87 36.52 4.63 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.958 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.59 -131.56 31.94 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.052 -0.976 . . . . 0.0 113.27 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.408 HG22 ' HB2' ' A' ' 96' ' ' ALA . 32.5 p -67.54 -12.97 61.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.95 0.405 . . . . 0.0 111.741 -178.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.405 ' HB3' ' HG3' ' A' ' 35' ' ' ARG . 1.1 tm-20 -71.57 -36.95 71.07 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.4 m -65.88 -43.09 89.36 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.111 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.5 HG22 ' SG ' ' A' ' 119' ' ' CYS . 24.1 p -66.13 -36.25 82.64 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.255 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -66.88 -42.57 85.36 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.839 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.41 -49.86 76.17 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.812 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.68 -49.27 73.82 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.35 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.4 t -61.1 -48.55 81.14 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.839 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.485 ' O ' ' HG2' ' A' ' 48' ' ' ARG . . . -60.03 -44.77 94.41 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 120.929 0.395 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -56.1 -51.73 66.86 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.969 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 61.7 mtm -79.53 -31.33 42.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 28.1 ptt180 -63.29 -28.4 69.99 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.32 -39.97 14.88 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.573 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -67.41 -36.16 80.73 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -177.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.466 0.359 0 CA-C-O 120.863 0.364 . . . . 0.0 111.406 -178.656 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.538 HG23 ' HB1' ' A' ' 24' ' ' ALA . 9.5 m . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 120.56 0.219 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 61' ' ' VAL . 35.1 Cg_exo -60.54 149.8 84.95 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.064 2.509 . . . . 0.0 113.007 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.9 m -85.06 135.38 34.03 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.677 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.654 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.9 OUTLIER -123.7 133.03 70.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.782 178.681 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.1 mt -79.22 106.55 10.43 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 CA-C-O 121.468 0.651 . . . . 0.0 109.283 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.42 94.19 9.78 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.571 -178.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.425 ' OG ' ' HB2' ' A' ' 74' ' ' LYS . 13.2 p -96.21 94.6 7.59 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.271 0.558 . . . . 0.0 110.267 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.9 p -96.31 122.46 47.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.318 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.8 t -132.85 151.46 52.02 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.165 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.45 -19.62 66.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.414 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -98.58 0.37 44.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.233 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.51 144.84 4.01 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.837 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.4 t -110.67 122.75 65.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 121.252 0.548 . . . . 0.0 110.897 -178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.425 ' HB2' ' OG ' ' A' ' 67' ' ' SER . 3.8 mptp? -108.54 133.62 52.43 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.873 -178.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.654 ' HB3' HD11 ' A' ' 64' ' ' ILE . 25.7 m-85 -116.3 101.44 8.68 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.255 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.3 mt -114.55 139.76 38.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.381 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.678 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 3.4 t70 -74.99 144.29 43.2 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.365 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.15 -12.87 22.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 m -69.61 -54.75 12.49 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -123.5 3.78 9.02 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.382 0.611 . . . . 0.0 109.944 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.678 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 3.9 ttmp? 64.56 29.16 13.24 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.028 -178.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -77.45 140.66 39.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.861 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.6 tp -75.1 112.7 12.94 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-O 121.183 0.516 . . . . 0.0 110.654 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.404 HD11 ' HB2' ' A' ' 77' ' ' ASP . 48.7 mm -71.66 -55.82 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -179.48 161.15 1.03 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.678 -1.146 . . . . 0.0 109.798 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -141.48 119.39 11.9 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -116.78 141.53 48.09 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.796 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -71.65 146.78 48.06 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 173.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.9 tp -54.27 -33.16 24.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 120.859 0.361 . . . . 0.0 111.525 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -63.12 -25.82 68.54 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.2 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -81.68 -21.69 37.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.916 0.389 . . . . 0.0 110.712 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.523 ' HA ' HG22 ' A' ' 109' ' ' THR . 41.5 mt -79.66 113.45 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.1 m -90.34 -38.67 13.2 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.866 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 30.3 t -138.68 151.48 47.22 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.874 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.7 101.81 4.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.401 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.408 ' HB2' HG22 ' A' ' 37' ' ' THR . . . -114.89 -175.49 2.7 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 120.969 0.414 . . . . 0.0 111.117 -177.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.457 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -153.35 171.64 18.29 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.281 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.577 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 12.3 t70 -71.73 133.29 84.56 Favored Pre-proline 0 C--N 1.318 -0.773 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.533 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 39.7 Cg_exo -59.38 -36.29 94.48 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.157 2.572 . . . . 0.0 113.528 -179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -103.71 -26.17 12.85 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.976 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.577 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 15.3 t70 -113.49 104.64 12.47 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.179 0.514 . . . . 0.0 110.68 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.07 15.85 2.63 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.44 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.9 t -105.64 -0.47 25.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.914 0.387 . . . . 0.0 110.349 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.438 HG23 ' HB2' ' A' ' 98' ' ' ASP . 5.0 t -130.87 134.65 46.98 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 121.23 0.538 . . . . 0.0 110.773 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 41.0 p90 -122.17 150.94 41.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.137 -176.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.02 114.9 9.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.34 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 38.2 p90 -107.38 159.27 16.52 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 120.907 0.384 . . . . 0.0 111.191 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.6 mt -116.67 122.2 69.38 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.5 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 92' ' ' ILE . 7.9 p -128.15 174.96 8.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.984 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -148.93 116.57 6.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.037 0.446 . . . . 0.0 111.324 178.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.52 ' HB2' ' OG ' ' A' ' 114' ' ' SER . 3.7 m-20 -86.06 170.18 12.47 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.796 176.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.2 tp -68.92 -21.84 64.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.87 0.367 . . . . 0.0 111.164 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -102.19 10.7 39.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.123 0.487 . . . . 0.0 110.391 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.52 ' OG ' ' HB2' ' A' ' 111' ' ' ASP . 25.6 m -103.22 78.53 1.64 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.233 -177.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -58.99 -37.68 77.42 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 175.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.477 ' CD2' ' HA ' ' A' ' 32' ' ' LYS . 8.0 m80 -98.09 147.13 24.86 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.608 173.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -76.85 143.57 39.61 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 120.726 0.298 . . . . 0.0 111.05 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -108.39 115.79 30.77 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.968 0.413 . . . . 0.0 110.798 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.5 ' SG ' HG22 ' A' ' 40' ' ' THR . 52.6 t -86.6 118.71 26.19 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 72.6 m80 -106.18 106.54 17.1 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.862 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.1 p -109.98 130.09 63.76 Favored 'Isoleucine or valine' 0 C--O 1.255 1.387 0 CA-C-O 121.225 0.536 . . . . 0.0 111.04 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 77.6 m-85 -128.81 138.58 52.14 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.023 -178.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.413 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 36.0 p -95.61 121.27 37.13 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.179 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.5 ' HB1' HD22 ' A' ' 129' ' ' LEU . . . -85.05 154.06 22.32 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -84.32 -4.17 58.7 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.04 0.448 . . . . 0.0 110.513 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.401 ' HB3' ' HB2' ' A' ' 129' ' ' LEU . 13.8 t70 -146.02 137.11 24.59 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.841 -178.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.7 -54.72 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.868 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.67 -32.94 72.12 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.038 0.447 . . . . 0.0 110.632 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.5 HD22 ' HB1' ' A' ' 124' ' ' ALA . 9.4 tt -59.92 -51.71 68.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.527 177.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.72 -39.51 94.28 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.75 90.9 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.124 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.74 -35.4 80.02 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.601 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 129' ' ' LEU . 64.6 mt -56.79 -46.73 83.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 49.2 mm -61.31 -45.06 99.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.413 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.1 -43.43 98.86 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.602 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 27.1 m -63.85 -39.26 93.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.324 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.11 -43.69 94.53 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.961 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.75 -50.0 71.82 Favored Glycine 0 C--O 1.245 0.812 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -58.37 -42.45 87.01 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.453 ' HA ' HG12 ' A' ' 143' ' ' VAL . . . -61.24 -42.94 99.49 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -58.33 -50.25 74.31 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.716 0.293 . . . . 0.0 111.119 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.91 -44.59 61.05 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -177.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' A' ' 140' ' ' ALA . 9.7 p -63.16 -32.81 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 120.748 0.308 . . . . 0.0 111.606 -177.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.409 0 CA-C-O 121.03 0.443 . . . . 0.0 110.551 178.938 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.5 p . . . . . 0 C--O 1.239 0.513 0 CA-C-O 121.166 0.508 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.5 m -109.86 134.27 52.24 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.152 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -116.12 115.42 26.03 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.407 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -125.05 134.2 52.63 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.407 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -90.94 120.24 31.78 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.039 0.447 . . . . 0.0 110.872 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.8 165.91 15.83 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.524 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -103.15 125.93 50.08 Favored 'General case' 0 C--N 1.308 -1.226 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.128 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.479 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.6 OUTLIER -71.55 93.51 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.361 -177.778 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.541 ' HA ' HG11 ' A' ' 61' ' ' VAL . 38.0 tp -72.43 -59.78 2.56 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.366 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -174.43 171.53 44.64 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 119.599 -1.286 . . . . 0.0 112.983 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.5 p -131.4 102.12 5.82 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.435 ' SD ' ' HB1' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -84.86 156.16 21.41 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.946 0.403 . . . . 0.0 110.617 -179.045 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.487 HD13 ' CE1' ' A' ' 118' ' ' TYR . 18.6 tp -107.52 110.63 22.59 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 mm -116.3 118.53 59.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.668 -173.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.596 ' H ' ' HD3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -94.58 -38.51 10.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.2 177.045 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -94.52 55.6 1.98 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.834 177.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.628 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.6 pt? -69.35 132.34 46.25 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.567 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.476 ' HB2' ' HB3' ' A' ' 38' ' ' GLU . 30.9 mtm-85 -123.08 37.06 4.51 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.388 0.613 . . . . 0.0 109.839 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.11 -124.64 6.63 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.678 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.439 HG22 ' HB2' ' A' ' 96' ' ' ALA . 30.1 p -67.44 -14.16 62.68 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.382 0.61 . . . . 0.0 111.498 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 35' ' ' ARG . 4.9 tp10 -65.02 -45.27 86.19 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.718 177.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.453 ' OG ' ' HA ' ' A' ' 34' ' ' LEU . 14.2 m -67.56 -40.18 84.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.218 -177.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.42 ' HB ' ' HB3' ' A' ' 106' ' ' ALA . 25.1 p -65.26 -44.89 86.65 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.454 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -67.29 -39.98 86.02 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.304 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -56.66 -57.14 13.68 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.815 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.435 ' HB1' ' SD ' ' A' ' 29' ' ' MET . . . -63.33 -41.45 98.89 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.0 t -56.05 -62.45 1.69 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.14 86.18 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.655 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -55.62 -56.65 17.9 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.632 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.48 ' HE3' ' HG ' ' A' ' 26' ' ' LEU . 58.9 mtm -77.62 -25.18 49.58 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.511 -0.475 . . . . 0.0 111.974 -179.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -64.32 -30.83 71.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.265 0.555 . . . . 0.0 109.696 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.75 -27.61 21.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.469 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.4 ' HB3' ' HA ' ' A' ' 47' ' ' MET . 63.5 t30 -76.13 -37.36 58.12 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.136 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.7 p . . . . . 0 N--CA 1.471 0.596 0 CA-C-O 120.847 0.356 . . . . 0.0 111.33 -178.263 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' A' ' 26' ' ' LEU . 15.8 m . . . . . 0 N--CA 1.444 -0.765 0 CA-C-O 120.5 0.191 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 61' ' ' VAL . 1.3 Cg_endo -81.76 155.38 18.0 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 -179.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.7 m -89.32 134.01 34.24 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.478 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.431 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -126.43 131.44 71.39 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.912 -178.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.1 mp -84.95 111.46 20.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 76.6 mt -86.59 97.23 10.42 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.002 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.1 m -90.44 92.55 8.93 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 p -99.2 126.06 52.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.309 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.5 m -132.37 153.34 50.86 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.216 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.86 -17.09 48.16 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -177.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -102.7 -12.74 17.44 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 170.93 164.43 26.63 Favored Glycine 0 CA--C 1.509 -0.339 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.084 -177.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.8 t -126.91 135.79 62.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 120.994 0.426 . . . . 0.0 111.189 -178.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -118.55 136.11 54.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.117 178.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.431 ' HB3' HD11 ' A' ' 64' ' ' ILE . 5.0 m-85 -116.6 107.19 14.41 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.7 mp -117.2 142.61 30.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 CA-C-O 120.669 0.271 . . . . 0.0 110.515 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.662 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 2.3 t70 -79.6 145.94 32.81 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.596 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.28 -17.69 22.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.833 0.349 . . . . 0.0 111.552 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -75.06 -57.8 3.68 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.491 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -111.3 -8.02 14.37 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.794 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.662 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 14.0 mmmm 71.69 29.42 2.56 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.315 -177.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -66.3 129.2 39.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.043 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.0 tp -76.25 88.17 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 CA-C-O 121.966 0.888 . . . . 0.0 108.702 175.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.491 HD11 ' HB2' ' A' ' 77' ' ' ASP . 73.7 mt -60.86 -57.18 13.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.015 -175.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.89 160.74 31.33 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 119.722 -0.791 . . . . 0.0 112.643 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -141.3 134.54 29.46 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.953 -1.021 . . . . 0.0 108.716 175.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.57 154.92 29.32 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.329 178.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -66.33 141.09 58.1 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.572 HD13 ' O ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.05 -27.99 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 CA-C-O 120.849 0.356 . . . . 0.0 111.473 -176.123 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -7.5 34.44 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.491 ' ND2' HG22 ' A' ' 109' ' ' THR . 0.1 OUTLIER -84.61 -13.6 51.15 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.962 0.41 . . . . 0.0 110.446 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.9 mt -82.51 105.17 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.8 t -72.9 -40.21 65.74 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.085 -175.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.4 t -151.54 152.09 32.46 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.383 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.78 124.5 26.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.566 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.439 ' HB2' HG22 ' A' ' 37' ' ' THR . . . -141.84 172.92 12.02 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.831 0.348 . . . . 0.0 111.297 -178.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.528 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 18.8 pt20 -141.46 168.78 18.94 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.265 178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.623 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 13.1 t70 -70.37 136.6 86.39 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.756 -178.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -63.06 -39.53 39.21 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.913 2.408 . . . . 0.0 113.674 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -99.07 -33.54 10.76 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.816 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.623 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 24.3 t70 -104.79 106.17 16.55 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.295 0.569 . . . . 0.0 109.989 177.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -84.33 13.9 4.91 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.427 -176.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.1 t -109.59 -1.41 18.19 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.892 0.377 . . . . 0.0 110.271 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.7 m -119.48 133.44 55.69 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.223 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 40.7 p90 -134.88 158.24 44.76 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.859 0.362 . . . . 0.0 110.835 -178.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.42 ' HB3' ' HB ' ' A' ' 40' ' ' THR . . . -148.6 136.32 20.66 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.304 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -123.49 140.18 53.26 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-O 121.297 0.57 . . . . 0.0 111.24 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.3 mt -93.38 119.16 40.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.846 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.491 HG22 ' ND2' ' A' ' 91' ' ' ASN . 0.2 OUTLIER -113.39 139.99 48.43 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.598 -174.102 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -89.69 103.87 16.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.547 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -103.89 99.1 8.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.123 0.487 . . . . 0.0 110.93 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.6 mt -68.09 -14.47 63.0 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.823 -176.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -74.15 -28.0 61.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.721 0.296 . . . . 0.0 110.735 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.9 t -111.49 -23.36 10.77 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.478 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.1 t30 75.48 -38.75 0.37 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.929 0.892 . . . . 0.0 111.065 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.421 ' NE2' ' HB3' ' A' ' 32' ' ' LYS . 3.5 t-160 -73.71 128.43 35.49 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.02 129.85 42.16 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -177.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.487 ' CE1' HD13 ' A' ' 30' ' ' LEU . 67.5 m-85 -102.74 145.49 29.64 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.513 177.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 43.7 t -120.49 105.64 11.04 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 176.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -96.15 109.68 22.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.395 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.7 p -106.95 127.04 62.89 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.578 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 18.0 m-85 -124.59 148.8 47.64 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.155 -178.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 32.9 p -102.55 120.11 39.97 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.869 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.2 150.97 27.1 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -85.27 8.89 16.88 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 120.736 0.303 . . . . 0.0 110.409 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' ' 128' ' ' ASN . 21.0 t70 -166.85 142.57 4.36 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.743 -178.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 89.4 t -62.8 -48.39 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.533 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.498 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 7.9 t30 -60.87 -42.33 97.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.107 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.436 ' O ' HG13 ' A' ' 133' ' ' ILE . 2.8 tm? -56.58 -47.07 80.35 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.836 178.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.8 -44.24 97.11 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.735 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.8 96.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.798 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 128' ' ' ASN . 29.7 mm-40 -58.87 -46.73 87.12 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.327 177.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 129' ' ' LEU . 55.1 mt -58.11 -53.59 43.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.062 178.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.46 HD11 ' HB2' ' A' ' 105' ' ' PHE . 45.8 mm -57.84 -44.62 86.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.33 -49.06 79.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.694 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 23.6 m -65.54 -43.84 88.71 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.251 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.08 -48.05 83.34 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.853 0.358 . . . . 0.0 110.517 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.28 -45.13 96.61 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.249 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.664 HE21 ' HA ' ' A' ' 139' ' ' GLN . 0.0 OUTLIER -63.26 -43.61 97.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.656 0.265 . . . . 0.0 110.665 179.23 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.96 -43.92 97.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.755 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -66.9 -37.42 84.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.236 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.99 -53.58 53.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.73 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.0 p -67.93 -25.54 32.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.944 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.29 177.862 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 N--CA 1.446 -0.634 0 CA-C-O 121.05 0.452 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.532 ' HB2' HG13 ' A' ' 68' ' ' VAL . 99.0 m -152.35 107.64 3.28 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.422 176.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -101.89 120.66 40.75 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.213 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.613 ' HB3' HD21 ' A' ' 129' ' ' LEU . 75.8 m-85 -135.34 148.39 49.43 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.675 0.274 . . . . 0.0 111.287 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -99.42 107.91 20.25 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.829 0.347 . . . . 0.0 110.075 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.33 175.49 5.59 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.574 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -101.69 130.57 48.09 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-O 120.752 0.31 . . . . 0.0 110.659 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.471 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 5.6 t80 -72.72 100.46 2.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.286 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.1 tp -84.25 -64.49 1.15 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.391 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.9 161.64 25.5 Favored Glycine 0 C--N 1.34 0.802 0 C-N-CA 118.919 -1.61 . . . . 0.0 113.899 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.453 ' HA ' ' HA ' ' A' ' 120' ' ' HIS . 9.1 t -115.14 115.85 27.43 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 177.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -118.35 136.26 53.83 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.963 0.411 . . . . 0.0 111.344 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.2 tp -89.34 124.17 34.19 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.825 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.7 mm -97.73 136.63 27.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.819 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -75.01 -52.11 11.91 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.021 0.439 . . . . 0.0 110.003 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -122.47 103.0 8.42 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.701 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.514 HD21 HD13 ' A' ' 108' ' ' ILE . 1.9 tm? -70.78 114.05 8.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.26 -178.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.49 ' HG3' ' HB2' ' A' ' 38' ' ' GLU . 5.9 ptp85 -120.49 86.02 2.49 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.215 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.19 -129.6 32.3 Favored Glycine 0 C--N 1.329 0.148 0 CA-C-N 115.558 -0.746 . . . . 0.0 113.612 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -98.08 7.89 45.6 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.492 0.663 . . . . 0.0 110.441 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.49 ' HB2' ' HG3' ' A' ' 35' ' ' ARG . 13.0 mm-40 -73.12 -46.11 53.06 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.3 m -57.47 -42.98 83.64 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.972 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.7 p -65.51 -44.22 87.69 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.404 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -63.4 -41.51 98.76 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.81 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -54.47 -59.52 4.57 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.146 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 47' ' ' MET . . . -60.5 -45.17 94.76 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.13 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.9 t -57.92 -56.37 22.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.74 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.84 -49.78 76.35 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.961 0.41 . . . . 0.0 111.681 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -65.32 -38.52 90.43 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.761 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.456 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 13.6 ttm -71.13 -44.68 65.1 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.292 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.431 ' NH2' ' HB3' ' A' ' 101' ' ' ASP . 5.4 ptp180 -64.39 -36.19 83.36 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.968 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.44 99.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.324 178.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -73.26 -30.22 63.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.706 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 38.8 t . . . . . 0 N--CA 1.469 0.52 0 C-N-CA 122.807 0.443 . . . . 0.0 111.856 -178.362 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.574 HG23 ' HB1' ' A' ' 24' ' ' ALA . 4.0 m . . . . . 0 N--CA 1.442 -0.842 0 CA-C-O 120.818 0.342 . . . . 0.0 110.17 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.06 138.25 84.34 Favored 'Trans proline' 0 C--O 1.241 0.645 0 C-N-CA 122.943 2.429 . . . . 0.0 113.177 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.2 m -74.52 132.46 41.86 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.49 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -126.2 137.64 57.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.998 -177.23 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 60.4 mt -89.04 107.69 18.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.401 0.62 . . . . 0.0 110.162 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.2 mt -87.21 103.68 15.66 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.786 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.557 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 15.1 m -100.63 97.9 8.52 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-O 121.014 0.435 . . . . 0.0 109.897 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.532 HG13 ' HB2' ' A' ' 19' ' ' CYS . 2.4 p -100.75 129.13 52.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.385 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.3 p -129.29 164.85 22.62 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.72 -10.75 29.57 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -113.11 5.44 17.1 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 148.51 -176.28 27.38 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 119.637 -1.268 . . . . 0.0 112.704 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.1 m -130.5 136.13 59.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.336 0.589 . . . . 0.0 111.392 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.557 ' HG3' ' HB2' ' A' ' 67' ' ' SER . 22.6 pttp -126.08 110.31 13.39 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.59 0.71 . . . . 0.0 109.629 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.49 ' HB3' HD11 ' A' ' 64' ' ' ILE . 21.9 m-85 -94.44 106.0 17.97 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.71 -178.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.0 mt -110.89 146.57 15.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.926 -174.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.512 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 23.0 t70 -70.48 145.53 50.87 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.03 -18.08 29.73 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.3 m -97.23 -50.69 4.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.789 0.328 . . . . 0.0 111.513 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -99.06 -10.6 22.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.852 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 68.2 mttm 62.78 27.66 16.15 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.54 0.686 . . . . 0.0 110.119 -177.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.495 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 63.4 t30 -75.61 135.14 40.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.511 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.745 HD13 ' H ' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -71.75 108.82 3.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.402 0.62 . . . . 0.0 109.569 175.775 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 84.6 mt -90.61 -53.47 8.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.192 -176.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -144.7 110.96 5.54 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.092 0.472 . . . . 0.0 111.59 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -115.74 120.08 38.14 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -145.24 148.46 33.53 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.6 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.59 154.97 40.51 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.6 tt -67.65 -14.42 18.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.376 0.607 . . . . 0.0 110.52 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.8 mmm-85 -64.54 -22.93 67.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.456 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -86.13 -7.08 58.84 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.248 0.547 . . . . 0.0 110.326 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.402 HG12 HG22 ' A' ' 109' ' ' THR . 18.9 mt -97.76 141.07 16.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.1 p -113.31 -34.58 5.59 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.2 t -153.38 166.61 32.12 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.941 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 107' ' ' TYR . . . -143.41 112.66 6.77 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -123.66 172.67 8.64 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.144 0.497 . . . . 0.0 111.337 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 25.0 pt20 -138.14 177.01 8.2 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.99 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.597 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 15.0 t70 -89.36 130.08 45.12 Favored Pre-proline 0 C--N 1.315 -0.926 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.598 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 30.5 Cg_exo -63.01 -37.71 51.38 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.05 2.5 . . . . 0.0 114.155 -178.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -92.14 -36.91 13.05 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.674 -0.411 . . . . 0.0 111.749 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.597 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 17.6 t70 -115.54 94.97 4.93 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mp -76.58 18.84 0.3 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.657 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -108.15 0.17 21.4 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.8 m -120.1 127.06 52.19 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.6 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.461 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 46.3 p90 -130.78 152.6 49.95 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.083 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.37 116.64 9.54 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.609 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.498 ' CZ ' ' HB3' ' A' ' 120' ' ' HIS . 50.5 p90 -94.81 148.14 22.61 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.944 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.514 HD13 HD21 ' A' ' 34' ' ' LEU . 56.9 mt -107.73 125.74 64.17 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.53 -177.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.402 HG22 HG12 ' A' ' 92' ' ' ILE . 12.8 p -117.1 151.75 36.17 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.942 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.23 81.51 1.62 Allowed 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.463 0.649 . . . . 0.0 110.478 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.75 117.67 12.56 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.653 -178.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.593 HD23 ' H ' ' A' ' 112' ' ' LEU . 2.2 pt? -58.21 -18.13 23.93 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -95.38 -22.97 17.38 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.663 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' A' ' 115' ' ' ASN . 26.9 t -92.52 -23.08 19.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.421 ' HB3' ' O ' ' A' ' 114' ' ' SER . 33.2 t30 73.62 -54.73 0.68 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.205 0.602 . . . . 0.0 111.161 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -79.16 162.95 25.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.637 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -81.97 130.77 35.17 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -176.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -95.65 119.83 34.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.834 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 97.8 m -101.8 106.71 17.74 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 107' ' ' TYR . 3.2 t-160 -98.36 116.64 31.02 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.4 p -104.47 133.15 49.35 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.38 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.49 ' CE1' HG21 ' A' ' 64' ' ' ILE . 48.4 m-85 -123.8 140.27 53.15 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.569 177.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.44 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 7.4 p -98.78 114.95 27.72 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.149 178.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.26 155.85 24.65 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.78 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -91.62 7.12 43.01 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -164.11 145.49 8.69 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.528 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 92.8 t -65.74 -45.42 91.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.721 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -59.05 -40.56 85.51 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-O 121.03 0.443 . . . . 0.0 109.836 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.613 HD21 ' HB3' ' A' ' 21' ' ' TYR . 5.4 tt -58.22 -53.31 59.75 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.689 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.86 91.8 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.184 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.37 -42.58 91.95 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.385 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -60.15 -48.25 82.49 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.5 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.7 mt -57.19 -45.65 84.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.462 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.447 HD11 ' HB2' ' A' ' 105' ' ' PHE . 41.1 mm -60.23 -41.23 86.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 CA-C-O 120.983 0.42 . . . . 0.0 110.482 178.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.4 tt -63.33 -51.12 67.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.179 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 24.8 m -58.08 -50.74 72.43 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.323 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 81.9 mt -57.62 -48.79 78.46 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.742 0.306 . . . . 0.0 111.434 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.6 -48.21 87.35 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.051 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -69.46 -35.57 75.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.692 0.282 . . . . 0.0 111.223 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.417 ' O ' HG12 ' A' ' 143' ' ' VAL . . . -66.86 -40.55 87.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.862 0.363 . . . . 0.0 110.74 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -71.43 -32.2 68.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.227 0.537 . . . . 0.0 109.913 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.24 -44.28 79.83 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.149 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' ' 140' ' ' ALA . 7.3 p -67.76 -23.29 29.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.252 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.206 177.683 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.534 ' HB3' ' HB2' ' A' ' 69' ' ' SER . 68.7 p . . . . . 0 N--CA 1.446 -0.661 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.635 ' SG ' HG13 ' A' ' 68' ' ' VAL . 32.0 p -99.31 118.15 35.33 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.984 178.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -108.87 117.35 33.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.208 -177.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.471 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 65.4 m-85 -138.74 179.61 6.38 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.451 ' HB2' ' NZ ' ' A' ' 22' ' ' LYS . 9.2 mtmp? -115.98 114.97 25.34 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.01 0.433 . . . . 0.0 110.403 178.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.87 170.9 7.63 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.438 ' HB3' ' OG1' ' A' ' 123' ' ' THR . . . -108.25 124.08 49.76 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.688 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.444 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 1.8 t80 -67.34 99.44 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.457 HD22 HG23 ' A' ' 123' ' ' THR . 33.3 tp -84.89 -55.53 4.03 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.515 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.15 160.04 30.54 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 118.94 -1.6 . . . . 0.0 113.833 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.3 p -132.09 111.16 11.24 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -113.14 144.57 42.43 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.91 0.386 . . . . 0.0 111.006 -176.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.502 HD23 ' CD2' ' A' ' 118' ' ' TYR . 3.3 tm? -105.57 121.48 44.06 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.2 mm -96.67 131.42 43.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.718 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.45 ' HG3' ' HG2' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -58.6 -49.91 75.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.536 -179.008 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.45 ' HG2' ' HG3' ' A' ' 32' ' ' LYS . 16.9 pt-20 -160.63 123.17 3.24 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.978 HD11 ' HB2' ' A' ' 38' ' ' GLU . 2.2 tm? -176.56 139.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.65 ' N ' HD13 ' A' ' 34' ' ' LEU . 5.3 ptp180 -118.53 120.54 37.82 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.571 177.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.78 -159.01 14.04 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 119.889 -1.148 . . . . 0.0 114.925 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 15.2 t -79.04 -13.3 59.86 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.484 0.714 . . . . 0.0 112.84 -174.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.978 ' HB2' HD11 ' A' ' 34' ' ' LEU . 53.8 mm-40 -53.24 -33.9 54.89 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.975 0.417 . . . . 0.0 110.636 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.59 ' OG ' HD12 ' A' ' 34' ' ' LEU . 14.5 m -56.37 -48.25 77.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.858 176.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 p -68.53 -40.45 80.75 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 37' ' ' THR . 18.9 mm-40 -57.74 -49.1 77.68 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.497 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.31 -50.14 64.64 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.1 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.517 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -58.42 -52.09 67.09 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.014 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.446 ' HA ' ' HE3' ' A' ' 47' ' ' MET . 8.3 t -56.62 -52.81 63.43 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.345 -178.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.98 -59.46 4.72 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -65.96 -53.41 39.37 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -176.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.517 ' HB3' ' O ' ' A' ' 43' ' ' ALA . 2.2 tmm? -65.06 -34.68 79.01 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -64.36 -47.88 77.65 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.75 -13.78 62.6 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.322 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -84.86 -46.73 11.05 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.966 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.119 -177.825 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.432 ' HB ' ' O ' ' A' ' 25' ' ' TYR . 27.5 m . . . . . 0 C--O 1.24 0.581 0 CA-C-O 120.451 0.167 . . . . 0.0 110.733 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.23 144.12 67.35 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.939 2.426 . . . . 0.0 112.512 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.3 m -87.05 135.01 33.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.607 HG21 ' CE1' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -131.63 133.63 61.37 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 120.904 0.383 . . . . 0.0 110.348 -178.283 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.3 mt -77.75 111.7 14.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.478 0.656 . . . . 0.0 110.389 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.39 101.04 13.26 Favored 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.201 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.536 ' HA ' ' O ' ' A' ' 19' ' ' CYS . 46.4 t -119.47 122.56 41.98 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 121.138 0.494 . . . . 0.0 110.365 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.635 HG13 ' SG ' ' A' ' 19' ' ' CYS . 0.3 OUTLIER -125.2 130.01 73.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.248 -177.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.534 ' HB2' ' HB3' ' A' ' 18' ' ' SER . 22.2 t -121.24 158.29 28.42 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.193 177.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.81 -15.45 62.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.027 0.442 . . . . 0.0 111.051 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.5 22.86 13.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.574 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 147.42 150.06 5.11 Favored Glycine 0 CA--C 1.506 -0.479 0 C-N-CA 119.52 -1.324 . . . . 0.0 113.181 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.423 HG22 HG23 ' A' ' 68' ' ' VAL . 35.2 t -117.78 138.72 47.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.527 ' HG3' ' HB3' ' A' ' 67' ' ' SER . 0.5 OUTLIER -130.52 133.16 46.04 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.603 0.716 . . . . 0.0 111.697 -178.11 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.549 ' HB3' HD11 ' A' ' 64' ' ' ILE . 17.7 m-85 -119.57 103.58 9.54 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.928 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.421 ' O ' HG12 ' A' ' 64' ' ' ILE . 4.2 mp -112.91 143.7 22.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.465 ' HB3' ' H ' ' A' ' 82' ' ' ASN . 9.5 t70 -67.61 132.7 48.04 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.28 -24.55 39.97 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.4 m -98.63 -44.24 6.52 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 120.914 0.388 . . . . 0.0 111.1 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -91.33 -13.96 31.63 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.63 -176.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt 63.31 19.13 11.5 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.257 0.551 . . . . 0.0 110.968 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.465 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 56.2 t30 -81.38 135.45 35.66 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.373 -177.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.784 HD13 ' H ' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -75.14 92.08 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 121.899 0.857 . . . . 0.0 109.721 175.652 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.7 mt -69.77 -52.08 34.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.037 -176.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -165.82 139.25 4.34 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.523 178.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -151.24 124.37 8.75 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -147.24 176.04 10.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.959 0.409 . . . . 0.0 111.303 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -69.62 150.15 47.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.687 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.9 tp -60.15 -36.15 66.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-O 120.683 0.278 . . . . 0.0 111.387 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -73.43 1.17 10.31 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -84.68 -20.79 30.67 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.9 mt -79.59 108.08 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.053 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.3 t -69.87 -39.59 76.22 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.838 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.582 ' HB2' ' CG1' ' A' ' 108' ' ' ILE . 17.1 m -150.61 149.72 30.25 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 120.79 0.328 . . . . 0.0 111.723 -178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.82 109.85 5.58 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.07 142.45 42.39 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.015 0.436 . . . . 0.0 112.049 -175.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.44 ' CD ' ' H ' ' A' ' 97' ' ' GLN . 5.2 pm0 -92.83 143.82 25.89 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 174.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -86.72 150.04 49.8 Favored Pre-proline 0 C--N 1.304 -1.405 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -173.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.54 -36.41 34.06 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.392 2.728 . . . . 0.0 113.674 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -70.97 -20.35 62.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -157.75 114.86 2.96 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.868 0.366 . . . . 0.0 110.637 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.8 -9.86 58.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.5 p -97.03 2.6 51.61 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.42 0.629 . . . . 0.0 110.085 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 89.0 m -110.66 122.44 47.79 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.514 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.429 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 41.0 p90 -132.84 143.74 49.74 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.979 0.418 . . . . 0.0 111.213 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -130.73 139.8 50.29 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.463 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 120' ' ' HIS . 43.2 p90 -122.48 150.56 42.35 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.745 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.582 ' CG1' ' HB2' ' A' ' 94' ' ' CYS . 1.4 mm -107.8 116.61 51.63 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.9 p -115.6 160.23 20.27 Favored 'General case' 0 C--N 1.311 -1.075 0 O-C-N 123.336 0.397 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.14 76.93 1.65 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.927 0.87 . . . . 0.0 110.587 177.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.7 172.13 9.24 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.498 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.21 -12.04 60.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.34 0.591 . . . . 0.0 110.008 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' A' ' 113' ' ' LYS . 0.5 OUTLIER -104.0 2.55 32.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.672 176.779 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.8 m -132.44 77.03 1.73 Allowed 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.549 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -71.01 -18.52 62.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.343 0.592 . . . . 0.0 109.779 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.458 ' HB2' HD21 ' A' ' 30' ' ' LEU . 27.1 m80 -94.07 171.78 8.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.273 175.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -82.3 106.11 13.92 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.101 0.477 . . . . 0.0 111.214 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.502 ' CD2' HD23 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -92.25 122.42 34.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.555 179.704 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 19.7 p -109.3 114.53 28.29 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.311 0.576 . . . . 0.0 110.349 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 107' ' ' TYR . 3.6 t-160 -107.33 119.24 38.86 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.336 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.476 HG11 ' CE ' ' A' ' 47' ' ' MET . 7.8 p -109.47 131.5 60.18 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 CA-C-O 121.259 0.552 . . . . 0.0 111.461 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.607 ' CE1' HG21 ' A' ' 64' ' ' ILE . 56.9 m-85 -124.19 148.32 47.35 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.594 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.457 HG23 HD22 ' A' ' 26' ' ' LEU . 22.9 p -110.95 130.98 55.42 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.405 177.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.9 162.19 14.52 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.799 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -92.7 3.3 55.86 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.222 0.534 . . . . 0.0 109.968 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -160.75 138.04 9.19 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.633 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 86.4 t -63.65 -46.12 95.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.682 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.99 -38.02 87.03 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.062 0.458 . . . . 0.0 110.317 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.7 -52.08 66.62 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.488 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.44 97.46 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.889 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.87 94.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.827 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.35 -38.57 91.5 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.257 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 67.1 mt -61.31 -47.29 94.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 25.9 mm -58.17 -45.23 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.405 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 75.4 mt -58.95 -51.42 70.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.97 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.9 m -57.48 -43.89 84.45 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.692 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.94 -46.61 88.56 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.903 0.382 . . . . 0.0 110.342 177.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.67 -49.63 76.42 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.186 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.77 -38.74 86.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.731 0.301 . . . . 0.0 110.879 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.83 92.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.352 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -74.35 -32.1 62.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.073 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.68 -47.11 76.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.53 -12.05 15.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.093 0.473 . . . . 0.0 110.629 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.005 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 N--CA 1.444 -0.756 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.8 m -74.85 111.99 10.62 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -91.09 113.43 25.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.575 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -119.1 123.2 43.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.468 0.175 . . . . 0.0 110.827 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -83.36 108.06 16.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.879 0.371 . . . . 0.0 110.363 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.77 167.14 10.59 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.57 ' HB1' ' CG2' ' A' ' 61' ' ' VAL . . . -105.16 118.41 36.48 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.519 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.483 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -70.36 107.52 3.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.069 -178.124 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.406 ' HB3' HG13 ' A' ' 121' ' ' VAL . 33.6 tp -86.33 -52.87 5.35 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.361 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.82 150.61 8.96 Favored Glycine 0 C--N 1.336 0.569 0 C-N-CA 119.444 -1.36 . . . . 0.0 113.514 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.3 p -106.12 104.47 14.18 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.6 tpp -109.58 133.47 53.07 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 120.971 0.415 . . . . 0.0 111.216 -175.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.6 tp -84.92 117.27 23.82 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.053 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.6 mm -87.75 127.73 40.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.636 -175.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -81.08 -58.04 3.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.546 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -96.6 99.72 11.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.609 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -80.72 107.17 13.3 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.596 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.466 ' HG3' ' HB2' ' A' ' 38' ' ' GLU . 13.0 ptp180 -127.7 29.22 5.51 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.29 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.14 -143.69 18.93 Favored Glycine 0 C--N 1.324 -0.125 0 CA-C-N 115.862 -0.608 . . . . 0.0 113.507 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 t -67.33 -12.62 60.62 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.331 0.586 . . . . 0.0 111.344 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.466 ' HB2' ' HG3' ' A' ' 35' ' ' ARG . 19.6 mm-40 -66.5 -41.01 89.54 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.204 0.526 . . . . 0.0 109.716 176.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.0 m -64.38 -39.71 94.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.108 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.421 HG22 ' SG ' ' A' ' 119' ' ' CYS . 61.2 p -66.4 -43.9 84.52 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.519 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -62.19 -40.29 95.55 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.059 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' A' ' 46' ' ' LYS . 21.8 t70 -58.88 -53.2 61.06 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.368 178.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.09 -51.46 67.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.242 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.436 ' SG ' HG21 ' A' ' 104' ' ' THR . 45.6 t -54.11 -57.4 11.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.099 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.28 -29.5 69.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 1.4 tppp? -60.81 -65.2 0.73 Allowed 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.167 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -66.08 -32.64 74.23 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.676 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 48' ' ' ARG . 44.3 ttt180 -61.39 -47.53 85.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.735 0.302 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.78 -11.87 54.86 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -94.52 -41.19 9.48 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.889 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 48.6 t . . . . . 0 N--CA 1.464 0.266 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.833 -177.032 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.572 ' HB ' ' HD2' ' A' ' 62' ' ' PRO . 29.7 m . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.572 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 85.5 Cg_exo -48.77 107.4 0.14 Allowed 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.442 2.095 . . . . 0.0 113.48 -177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.2 m -76.35 127.05 32.11 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.467 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -124.96 138.51 54.0 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.328 -177.006 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.511 HG13 ' HB2' ' A' ' 78' ' ' ALA . 35.9 mt -89.73 99.82 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-O 120.994 0.426 . . . . 0.0 110.211 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.12 95.64 4.96 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.531 ' HB3' ' HG3' ' A' ' 74' ' ' LYS . 36.8 t -97.65 109.56 22.29 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-O 121.509 0.671 . . . . 0.0 110.182 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 p -112.42 134.29 55.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.314 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.1 t -140.1 -179.81 6.19 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.35 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.62 105.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.951 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.524 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 49.2 mtmt 68.75 4.48 4.43 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.363 -0.835 . . . . 0.0 113.238 177.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -137.94 136.48 8.18 Favored Glycine 0 CA--C 1.508 -0.375 0 C-N-CA 119.526 -1.321 . . . . 0.0 113.222 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.1 t -131.07 124.83 56.59 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 CA-C-O 121.4 0.619 . . . . 0.0 110.839 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.531 ' HG3' ' HB3' ' A' ' 67' ' ' SER . 14.5 pttp -119.88 126.01 49.88 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.664 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.467 ' HB3' HD11 ' A' ' 64' ' ' ILE . 4.5 m-85 -106.35 100.05 9.6 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.184 -175.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.1 mt -107.82 144.91 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.556 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.733 ' HB3' ' H ' ' A' ' 82' ' ' ASN . 17.1 t70 -76.1 133.53 40.26 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.507 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.511 ' HB2' HG13 ' A' ' 65' ' ' ILE . . . -91.03 -10.02 43.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -177.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.7 m -91.4 -45.62 8.46 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -135.04 31.44 3.26 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.696 -176.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt 44.04 44.59 6.26 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.525 0.73 . . . . 0.0 112.384 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.733 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 53.2 t30 -93.14 134.57 35.17 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.538 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.6 tp -79.33 92.46 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.677 0.751 . . . . 0.0 109.331 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.42 -57.17 8.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.289 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.61 159.82 43.21 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.436 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -154.39 113.52 3.69 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -152.71 144.38 23.5 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.475 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.45 151.56 32.31 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.9 tt -63.46 -16.0 17.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.025 0.44 . . . . 0.0 111.269 -177.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -69.51 -14.97 63.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.158 0.504 . . . . 0.0 110.396 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -80.45 -18.05 49.91 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.2 mt -88.96 126.56 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.02 177.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.3 t -98.02 -28.79 13.62 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.46 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 53.6 t -152.81 151.67 30.71 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.054 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.25 106.13 5.17 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.08 142.72 50.95 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.986 0.422 . . . . 0.0 112.025 -176.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 21.3 pt20 -103.5 156.95 17.38 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.632 176.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.09 139.99 79.9 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-O 121.15 0.5 . . . . 0.0 111.916 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -68.03 -39.23 11.18 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.705 2.27 . . . . 0.0 112.737 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -83.23 -17.17 43.66 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.593 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -147.65 111.21 4.97 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.907 0.384 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.8 mp -85.66 9.56 15.87 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.5 t -100.37 8.23 43.78 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.436 HG21 ' SG ' ' A' ' 44' ' ' CYS . 15.2 m -132.01 134.98 46.19 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.51 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 43.4 p90 -141.88 152.04 43.23 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.938 0.399 . . . . 0.0 110.846 -177.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.35 124.68 16.55 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.393 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -105.46 144.39 32.29 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.116 0.484 . . . . 0.0 110.334 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.505 ' CG2' ' HB3' ' A' ' 117' ' ' HIS . 57.8 mt -109.68 125.36 66.85 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.198 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.0 p -106.14 149.4 26.81 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.875 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -98.99 69.12 1.75 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.622 0.725 . . . . 0.0 109.641 177.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -82.5 102.66 11.5 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.272 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.488 HD23 ' H ' ' A' ' 112' ' ' LEU . 2.5 pt? -61.36 -23.13 65.55 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.773 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.54 -23.25 67.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.971 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.3 m -115.99 -1.36 12.53 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.605 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 67.98 -61.85 0.37 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.039 0.936 . . . . 0.0 112.138 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -74.55 170.62 15.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.025 0.441 . . . . 0.0 110.502 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.505 ' HB3' ' CG2' ' A' ' 108' ' ' ILE . 77.1 m80 -90.58 125.21 35.55 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.982 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.401 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.8 OUTLIER -88.2 119.26 28.44 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.02 179.429 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.421 ' SG ' HG22 ' A' ' 40' ' ' THR . 44.9 t -92.53 110.64 22.06 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 177.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.436 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 76.9 m80 -97.6 104.32 16.34 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.406 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.2 p -97.33 128.92 48.13 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 0 CA-C-O 121.142 0.496 . . . . 0.0 111.13 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.483 ' CD2' ' HA ' ' A' ' 25' ' ' TYR . 85.8 m-85 -128.66 142.09 51.14 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.093 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.404 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 27.8 p -98.39 125.28 43.49 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.435 177.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.9 152.4 22.11 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.066 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -74.45 -22.55 59.06 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.452 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -146.65 153.43 40.3 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.851 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.61 -45.76 96.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.9 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.416 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 11.4 t30 -62.41 -35.11 78.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.537 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.407 ' O ' HG13 ' A' ' 133' ' ' ILE . 2.9 tm? -62.33 -47.6 83.53 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.12 -45.16 94.71 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.51 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.34 -43.56 88.35 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.892 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 128' ' ' ASN . 43.7 mm-40 -59.3 -46.39 88.69 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.982 178.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 129' ' ' LEU . 48.4 mt -57.64 -53.12 48.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 179.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 41.7 mm -60.84 -38.39 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.88 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.7 -48.7 73.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.05 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 14.4 m -63.76 -39.48 94.38 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.543 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.29 -45.55 94.01 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.054 0.454 . . . . 0.0 109.876 175.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.521 ' HA2' ' CZ ' ' A' ' 141' ' ' PHE . . . -54.74 -47.59 70.48 Favored Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.603 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.7 -41.44 98.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.884 0.374 . . . . 0.0 110.783 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.91 -43.66 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.432 -177.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.521 ' CZ ' ' HA2' ' A' ' 138' ' ' GLY . 3.0 p90 -88.63 -19.01 26.79 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 119.173 -1.011 . . . . 0.0 111.795 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 138' ' ' GLY . 10.9 tp10 -67.42 -44.13 79.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 7.4 p -70.16 -15.78 19.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.544 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 71' ' ' LYS . . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 121.238 0.542 . . . . 0.0 110.134 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.2 p . . . . . 0 N--CA 1.441 -0.895 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.439 ' HB2' HG13 ' A' ' 68' ' ' VAL . 72.0 m -113.26 111.99 22.97 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.004 -177.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.32 107.14 15.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.422 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -131.25 172.43 12.16 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 121.137 -0.225 . . . . 0.0 110.976 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 56.4 mttp -118.59 145.23 45.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.104 0.478 . . . . 0.0 110.809 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.09 167.2 23.29 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.227 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.72 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -95.98 115.97 28.23 Favored 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.5 119.48 14.73 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -177.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.481 ' HB3' HG13 ' A' ' 121' ' ' VAL . 25.5 tp -86.18 -50.73 6.77 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.592 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.21 156.96 13.75 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 118.901 -1.619 . . . . 0.0 114.593 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.5 m -100.98 107.21 18.62 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.8 tpp -112.57 136.2 52.39 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.599 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.9 tp -85.04 130.57 34.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.007 0.432 . . . . 0.0 110.378 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.4 mm -102.09 138.14 27.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.193 -177.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -87.77 -54.47 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.231 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -110.94 124.35 51.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.217 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -83.65 100.98 11.19 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' A' ' 38' ' ' GLU . 8.0 ptp180 -136.26 83.7 2.03 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.78 -176.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.58 -135.42 37.72 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-N 115.541 -0.754 . . . . 0.0 113.401 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.3 t -89.96 -0.3 57.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.906 0.384 . . . . 0.0 110.925 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.408 ' HB3' ' HG3' ' A' ' 35' ' ' ARG . 6.8 tp10 -62.04 -42.4 99.14 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 m -62.81 -46.94 85.63 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.787 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.506 HG23 HD11 ' A' ' 108' ' ' ILE . 28.5 p -64.76 -34.93 79.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.758 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -73.08 -40.91 64.64 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.854 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 46' ' ' LYS . 14.6 t70 -55.93 -50.22 71.32 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 176.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.68 -57.38 13.18 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.927 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 98' ' ' ASP . 49.8 t -51.76 -56.73 12.12 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.496 -178.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.479 ' HA ' ' HG3' ' A' ' 48' ' ' ARG . . . -57.08 -42.73 81.2 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 120.891 0.377 . . . . 0.0 111.082 -179.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 16.8 ttmm -56.98 -50.02 73.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.891 -178.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -74.4 -42.87 58.51 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.479 ' HG3' ' HA ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -63.47 -23.33 67.35 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.879 -177.498 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.96 -42.47 5.32 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -95.95 -33.64 12.1 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -175.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -174.936 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.72 HG23 ' HB1' ' A' ' 24' ' ' ALA . 0.0 OUTLIER . . . . . 0 CA--C 1.555 1.143 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -66.23 103.93 0.69 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 121.569 1.513 . . . . 0.0 112.204 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.4 m -69.55 116.78 10.36 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.863 HD11 ' HB3' ' A' ' 75' ' ' PHE . 1.3 tt -108.93 147.09 13.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.82 -173.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.446 ' N ' HG12 ' A' ' 64' ' ' ILE . 3.3 mp -94.09 105.99 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.3 mt -89.45 103.05 15.72 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.779 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.509 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 35.0 t -105.15 115.35 30.13 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 121.487 0.661 . . . . 0.0 110.324 178.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.439 HG13 ' HB2' ' A' ' 19' ' ' CYS . 5.3 p -120.82 138.5 51.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.135 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.6 m -140.87 -178.53 5.59 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.935 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.59 100.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.298 0.374 . . . . 0.0 111.228 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 144' ' ' ALA . 46.6 mmtm 72.25 1.86 4.11 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.907 0.883 . . . . 0.0 112.299 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.32 142.68 17.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.369 -0.92 . . . . 0.0 113.247 -176.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.529 ' HB ' ' O ' ' A' ' 87' ' ' HIS . 52.0 t -132.53 115.78 26.24 Favored 'Isoleucine or valine' 0 C--O 1.248 1.016 0 CA-C-O 121.231 0.539 . . . . 0.0 111.033 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 67' ' ' SER . 74.8 mmtt -128.33 98.29 5.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.803 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.863 ' HB3' HD11 ' A' ' 64' ' ' ILE . 20.7 m-30 -108.99 113.63 26.68 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.356 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.4 mp -120.82 149.26 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-O 120.877 0.37 . . . . 0.0 111.512 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.527 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 8.9 t70 -78.79 155.59 29.19 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 123.554 0.742 . . . . 0.0 111.045 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.25 -33.57 13.21 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 37.8 m -74.08 -54.34 8.03 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -175.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -107.59 -9.85 15.8 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.617 0.246 . . . . 0.0 110.812 -177.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 8.7 mtmp? 71.04 26.51 3.51 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.689 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -73.6 136.17 43.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.588 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.41 HD12 ' N ' ' A' ' 83' ' ' ILE . 3.9 mp -80.7 118.46 28.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.89 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.21 -48.29 19.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.824 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.492 ' HB1' ' CE1' ' A' ' 87' ' ' HIS . . . -139.73 113.28 8.49 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 120.452 -0.499 . . . . 0.0 112.26 -177.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -117.72 99.63 7.07 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.174 175.505 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.529 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 2.6 p-80 -166.78 165.53 16.25 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.305 -177.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.415 ' CD ' HH21 ' A' ' 90' ' ' ARG . 42.1 mt-10 -81.9 165.88 20.4 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 45.9 mt -64.38 -25.59 38.32 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-O 121.136 0.494 . . . . 0.0 109.883 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.415 HH21 ' CD ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -65.8 -13.05 58.74 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.325 177.739 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -86.68 -18.6 30.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.258 0.551 . . . . 0.0 109.764 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.426 ' HA ' HG22 ' A' ' 109' ' ' THR . 46.6 mt -84.25 114.4 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.326 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.2 m -86.73 -26.58 24.14 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.868 -175.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 18.2 t -161.82 161.04 28.88 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.653 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.01 136.43 25.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -151.47 -176.73 5.71 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.974 0.416 . . . . 0.0 111.428 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 11.2 pt20 -146.76 172.85 12.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.781 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.637 ' OD1' ' HG2' ' A' ' 100' ' ' GLU . 12.7 t70 -86.04 137.16 35.44 Favored Pre-proline 0 C--N 1.323 -0.582 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.797 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 32.1 Cg_exo -63.81 -38.83 36.95 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.128 2.552 . . . . 0.0 113.92 179.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.637 ' HG2' ' OD1' ' A' ' 98' ' ' ASP . 11.5 pt-20 -88.51 -35.72 16.82 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.715 -176.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -110.64 103.59 12.18 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.164 0.507 . . . . 0.0 109.969 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 66.4 mt -80.65 5.48 15.46 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.564 -176.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.2 t -106.72 -0.25 23.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.157 0.504 . . . . 0.0 110.237 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 36.2 m -113.56 125.49 54.24 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.284 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 37.2 p90 -130.12 155.6 45.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.674 -178.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -148.58 134.71 19.27 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.536 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -120.27 148.73 43.34 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.013 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.506 HD11 HG23 ' A' ' 40' ' ' THR . 50.0 mt -112.41 127.49 69.59 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.665 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.426 HG22 ' HA ' ' A' ' 92' ' ' ILE . 3.6 p -111.31 -171.78 1.9 Allowed 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.667 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -132.86 124.92 28.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.032 176.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -111.79 121.04 44.0 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.004 0.431 . . . . 0.0 110.482 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -47.74 81.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.327 -174.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.548 ' H ' ' HD3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -80.83 2.25 27.18 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.114 -0.634 . . . . 0.0 112.38 -177.36 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.5 t -100.49 -34.53 9.89 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 66.24 14.96 9.92 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.369 -177.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.14 -169.52 2.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.625 178.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.446 ' HB3' ' CG2' ' A' ' 108' ' ' ILE . 93.3 m-70 -117.84 134.67 54.7 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 120.769 0.318 . . . . 0.0 111.225 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -98.04 127.05 43.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.456 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.1 t -100.5 112.98 25.41 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 177.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -97.14 106.54 18.89 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.481 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.5 p -104.52 130.57 55.18 Favored 'Isoleucine or valine' 0 C--O 1.248 0.979 0 CA-C-O 121.129 0.49 . . . . 0.0 111.247 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -129.08 144.01 51.05 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.54 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 33.3 p -103.63 110.23 22.22 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.9 164.85 25.78 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.482 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -96.96 2.14 51.21 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.958 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -155.37 134.84 12.5 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.492 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 87.1 t -64.08 -55.18 23.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.002 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.13 -37.94 81.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.073 -178.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.466 ' O ' HG13 ' A' ' 133' ' ' ILE . 3.1 tm? -63.84 -46.08 86.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.272 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.84 -49.99 75.55 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.099 0.476 . . . . 0.0 110.669 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.01 -34.5 74.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.773 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -73.2 -29.76 63.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.389 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 129' ' ' LEU . 64.4 mt -64.92 -46.09 92.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 174.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 44.7 mm -60.4 -39.56 81.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.231 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 14.5 tp -59.47 -47.32 85.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.91 177.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 43.5 m -58.27 -54.08 51.0 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.367 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 65.5 mt -56.1 -51.28 68.48 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 121.101 0.477 . . . . 0.0 110.956 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -55.81 -54.42 35.2 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.425 -0.807 . . . . 0.0 113.291 -177.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -65.81 -36.9 84.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.919 0.36 . . . . 0.0 111.454 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.01 -30.97 72.01 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.725 0.297 . . . . 0.0 111.132 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -88.52 -38.12 15.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.947 0.403 . . . . 0.0 110.804 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.27 -40.86 96.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.387 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 11.4 p -56.52 -20.54 11.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.428 ' HB2' ' HE3' ' A' ' 71' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.756 0.312 . . . . 0.0 111.33 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.446 -0.649 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.4 m -133.79 132.96 41.1 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 120.799 0.333 . . . . 0.0 110.805 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -102.72 115.17 30.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.369 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -127.06 121.97 33.04 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.472 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -84.33 106.86 16.26 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.165 0.507 . . . . 0.0 110.802 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.77 179.36 3.99 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.727 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.535 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -113.53 130.42 56.35 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.922 177.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.414 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -77.39 106.37 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.848 0.356 . . . . 0.0 110.424 -177.272 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.445 ' HB3' HG13 ' A' ' 121' ' ' VAL . 52.1 tp -79.21 -57.82 3.53 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.73 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.53 164.73 29.23 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 119.53 -1.319 . . . . 0.0 113.323 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.6 p -113.51 122.03 46.05 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -115.71 140.01 49.61 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 121.072 0.463 . . . . 0.0 111.023 -177.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -81.61 127.42 32.86 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.486 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.485 ' HB ' ' HB2' ' A' ' 117' ' ' HIS . 24.3 mm -106.22 119.5 55.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.276 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -56.99 -57.39 12.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.366 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -138.88 153.64 48.31 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.152 0.501 . . . . 0.0 111.714 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.38 115.56 29.52 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.01 -177.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -116.37 34.13 5.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.26 -146.77 20.44 Favored Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 -176.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.462 ' HB ' HE22 ' A' ' 41' ' ' GLN . 3.1 p -74.4 -0.62 17.89 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.239 0.542 . . . . 0.0 111.467 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -57.86 -45.66 85.99 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -66.21 -42.51 88.66 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.699 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.412 HG23 ' CD1' ' A' ' 108' ' ' ILE . 2.5 p -61.75 -54.24 45.19 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.085 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.462 HE22 ' HB ' ' A' ' 37' ' ' THR . 0.7 OUTLIER -66.32 -29.57 69.81 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.428 -179.684 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.22 -62.58 1.73 Allowed 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.338 0.59 . . . . 0.0 109.878 176.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.17 -51.47 68.91 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.042 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.1 t -54.85 -52.81 61.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.681 -177.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.48 -38.86 91.48 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 121.144 -0.223 . . . . 0.0 111.404 -177.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -62.99 -50.39 70.93 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -71.86 -33.66 68.6 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.332 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 101' ' ' ASP . 1.0 OUTLIER -63.47 -44.95 92.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.179 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.46 -27.57 65.35 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.13 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -69.28 -44.86 70.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.644 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.2 p . . . . . 0 C--O 1.233 0.227 0 CA-C-O 121.005 0.431 . . . . 0.0 110.721 178.167 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.535 HG23 ' HB1' ' A' ' 24' ' ' ALA . 2.8 m . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 120.724 0.297 . . . . 0.0 111.456 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.56 155.07 64.04 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.064 2.509 . . . . 0.0 113.58 -177.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.2 m -77.77 147.32 35.37 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.479 -178.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.647 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -144.82 139.16 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.103 -179.247 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.4 mp -83.15 110.35 18.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.065 0.459 . . . . 0.0 111.221 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -84.72 92.91 8.32 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 174.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.8 t -98.03 99.51 10.79 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 121.671 0.748 . . . . 0.0 110.37 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 p -99.84 121.37 50.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 114.843 -1.072 . . . . 0.0 111.56 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.577 ' HB3' ' O ' ' A' ' 72' ' ' GLY . 32.4 t -128.22 150.52 49.99 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.556 177.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.67 -12.63 60.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.979 0.418 . . . . 0.0 110.784 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -110.77 11.18 22.59 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 179.311 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.577 ' O ' ' HB3' ' A' ' 69' ' ' SER . . . 148.09 139.77 3.25 Favored Glycine 0 C--O 1.223 -0.578 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.687 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.3 t -111.56 124.24 68.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-O 121.031 0.444 . . . . 0.0 109.912 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.472 ' HE2' HD11 ' A' ' 76' ' ' ILE . 21.4 ptmt -121.86 147.27 46.2 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.438 -177.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.647 ' HB3' HD11 ' A' ' 64' ' ' ILE . 3.4 m-85 -124.94 121.65 35.07 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.74 -177.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.472 HD11 ' HE2' ' A' ' 74' ' ' LYS . 2.4 mp -128.29 143.21 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.392 -178.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.3 145.18 42.02 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.089 0.471 . . . . 0.0 111.058 178.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.77 -24.06 19.53 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -177.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.1 p -75.97 -52.92 9.22 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -174.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -116.32 3.24 13.34 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.428 -0.17 . . . . 0.0 111.085 -176.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt 67.12 32.82 5.95 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.976 0.893 . . . . 0.0 109.143 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -76.95 125.61 29.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.049 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.686 HD13 ' H ' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -75.81 123.6 32.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-O 121.003 0.43 . . . . 0.0 110.438 179.012 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.459 ' HB ' ' O ' ' A' ' 75' ' ' PHE . 1.8 mp -82.52 -58.99 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 175.13 166.61 0.3 Allowed 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.041 0.448 . . . . 0.0 111.62 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.86 129.57 36.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.35 175.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -136.42 148.1 47.6 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -71.36 148.22 47.23 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.238 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.5 tp -60.45 -34.48 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.282 0.563 . . . . 0.0 110.598 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -64.44 -13.98 54.44 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.019 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.578 ' ND2' ' HB ' ' A' ' 109' ' ' THR . 9.6 t30 -91.84 -16.47 26.7 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.484 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.1 mt -78.49 105.02 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.9 t -75.31 -29.62 60.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.257 -174.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.0 t -154.66 140.2 17.87 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.032 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.53 106.23 8.38 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.36 -174.06 3.29 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.823 0.344 . . . . 0.0 110.923 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 5.0 pm0 -146.63 177.93 8.69 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.159 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.448 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 14.2 t70 -70.26 139.61 87.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -57.47 -35.31 98.86 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.912 2.408 . . . . 0.0 113.518 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -114.49 -28.11 7.3 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 10.4 t70 -96.51 99.92 11.54 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.156 0.503 . . . . 0.0 110.491 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.5 mt -81.04 15.12 1.96 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.462 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.8 t -115.15 4.92 14.7 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.2 m -125.94 126.06 43.76 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.883 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 122' ' ' PHE . 43.1 p90 -125.91 152.72 45.22 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.151 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -143.73 122.23 12.45 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.476 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 49.1 p90 -114.16 146.24 40.6 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.328 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.412 ' CD1' HG23 ' A' ' 40' ' ' THR . 52.3 mt -115.13 127.93 72.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.794 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.578 ' HB ' ' ND2' ' A' ' 91' ' ' ASN . 80.9 p -108.13 144.04 36.08 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.086 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -114.54 70.64 0.74 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.618 0.723 . . . . 0.0 109.459 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.445 ' HA ' ' OD1' ' A' ' 91' ' ' ASN . 6.9 m-20 -72.64 127.45 32.6 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.326 -179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.46 -20.95 64.65 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.274 0.559 . . . . 0.0 109.654 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -75.34 -23.72 57.25 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.088 176.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.3 t -97.04 -41.31 8.43 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.972 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 40.5 t30 72.94 -46.26 0.64 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.608 0.763 . . . . 0.0 110.355 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -82.54 145.17 29.9 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.681 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.485 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 52.4 m80 -71.42 129.01 37.74 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 -178.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.1 119.98 38.26 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.864 0.364 . . . . 0.0 111.262 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 49.4 t -107.35 119.4 39.29 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 44.2 m-70 -106.99 116.71 32.4 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.445 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.1 p -106.31 132.76 52.66 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 CA-C-O 121.255 0.55 . . . . 0.0 110.831 -178.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 65.9 m-85 -129.92 141.83 50.73 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.889 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 81.7 p -103.07 118.13 36.11 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.56 161.37 26.0 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.408 ' CE1' ' HB2' ' A' ' 24' ' ' ALA . 30.5 m-85 -90.71 -2.69 57.81 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 120.762 0.315 . . . . 0.0 110.69 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -155.57 148.0 23.87 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.487 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 66.0 t -61.26 -41.59 90.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.026 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 132' ' ' GLU . 3.5 t-20 -65.73 -41.4 92.28 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.488 ' O ' HG13 ' A' ' 133' ' ' ILE . 2.0 tm? -57.19 -49.21 76.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.988 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.08 -49.02 73.91 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.319 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.93 86.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 7.8 tp10 -63.27 -42.5 99.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.74 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 129' ' ' LEU . 60.8 mt -61.7 -48.28 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.165 177.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 27.1 mm -56.02 -45.35 80.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.36 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 139' ' ' GLN . 10.1 tt -63.1 -49.48 74.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.464 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 16.8 m -61.49 -42.81 99.36 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.016 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 88.7 mt -59.6 -45.76 90.94 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.715 0.293 . . . . 0.0 110.348 177.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.21 -46.74 93.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.016 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 14.0 mm100 -60.28 -45.5 93.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.312 . . . . 0.0 110.679 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.92 -37.64 86.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.465 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -70.01 -47.02 63.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.176 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -74.1 -29.04 61.65 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -177.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.9 p -69.22 -26.95 32.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 120.186 -0.606 . . . . 0.0 110.023 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.427 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.946 177.552 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.7 p . . . . . 0 N--CA 1.44 -0.94 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.769 ' HB3' HG13 ' A' ' 68' ' ' VAL . 41.9 t -89.75 96.48 10.71 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.621 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.75 99.77 8.65 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.216 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.416 ' HE2' ' HG ' ' A' ' 19' ' ' CYS . 87.6 m-85 -140.77 178.35 7.4 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.54 106.46 17.16 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 120.99 0.424 . . . . 0.0 110.975 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.52 177.34 5.97 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.572 ' HB3' HG23 ' A' ' 123' ' ' THR . . . -116.5 124.41 49.83 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.075 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.577 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 13.8 t80 -78.79 105.45 10.1 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.804 -177.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.425 ' HB3' HG13 ' A' ' 121' ' ' VAL . 33.1 tp -88.1 -52.79 5.05 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.632 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.62 163.04 22.99 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 119.215 -1.469 . . . . 0.0 114.199 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -114.69 109.03 17.59 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -116.92 132.69 56.64 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.803 0.335 . . . . 0.0 111.838 -176.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 116' ' ' HIS . 21.7 tp -80.72 129.74 34.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.529 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.404 HG21 ' HB3' ' A' ' 39' ' ' SER . 18.7 mm -109.37 142.42 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.531 -178.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.47 -54.44 28.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.532 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -135.56 138.72 43.29 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.05 0.452 . . . . 0.0 110.3 178.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.2 mm? -104.54 101.04 10.71 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.628 -178.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.405 ' HG3' ' HB3' ' A' ' 38' ' ' GLU . 14.6 ptp180 -111.76 88.07 2.71 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.868 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.17 -142.26 45.84 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.596 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.6 t -91.09 2.89 55.99 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.192 0.52 . . . . 0.0 110.632 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.405 ' HB3' ' HG3' ' A' ' 35' ' ' ARG . 8.2 tp10 -65.62 -45.38 83.32 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.404 ' HB3' HG21 ' A' ' 31' ' ' ILE . 25.1 m -66.59 -39.38 88.38 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.208 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.3 p -66.46 -43.42 85.56 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.016 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -67.93 -34.39 76.52 Favored 'General case' 0 CA--C 1.523 -0.094 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -57.47 -55.26 37.11 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.785 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 46' ' ' LYS . . . -65.05 -42.03 94.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.684 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.0 t -54.23 -55.19 30.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.525 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.49 78.91 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.858 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 43' ' ' ALA . 62.3 tttp -54.22 -60.03 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.753 178.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -76.14 -29.16 57.68 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.41 HH12 ' CG ' ' A' ' 98' ' ' ASP . 53.1 ttp180 -68.43 -25.86 65.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.976 0.417 . . . . 0.0 110.578 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.35 -31.66 14.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.005 0.431 . . . . 0.0 110.496 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -85.91 -4.73 59.24 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.258 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -178.466 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.645 ' HB ' ' HD2' ' A' ' 62' ' ' PRO . 1.5 m . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.645 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 36.6 Cg_endo -69.63 146.71 61.85 Favored 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 121.648 1.566 . . . . 0.0 112.051 177.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.7 m -88.71 133.82 34.1 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.212 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -123.71 123.22 66.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.12 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.428 HG13 ' HB2' ' A' ' 78' ' ' ALA . 45.6 mt -70.61 107.2 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.34 104.39 16.95 Favored 'General case' 0 N--CA 1.424 -1.745 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.267 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -108.18 89.69 3.07 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.32 0.581 . . . . 0.0 109.814 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.769 HG13 ' HB3' ' A' ' 19' ' ' CYS . 5.5 p -104.3 118.62 51.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-O 121.496 0.665 . . . . 0.0 111.54 -178.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.8 t -123.67 163.63 20.7 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.364 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.08 116.68 4.36 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.741 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.434 ' HA ' ' HB ' ' A' ' 89' ' ' ILE . 98.5 mttt 72.97 10.74 5.31 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.832 178.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.78 117.33 0.77 Allowed Glycine 0 CA--C 1.511 -0.176 0 C-N-CA 119.832 -1.175 . . . . 0.0 112.66 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.514 HG22 HG23 ' A' ' 68' ' ' VAL . 12.5 t -119.95 130.71 73.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.242 0.544 . . . . 0.0 111.458 -178.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.445 ' HD2' HD11 ' A' ' 76' ' ' ILE . 20.7 ttmm -122.16 132.21 54.34 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.884 -178.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.453 ' HB3' HD11 ' A' ' 64' ' ' ILE . 6.9 m-85 -121.23 112.16 18.29 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.486 ' O ' HG12 ' A' ' 64' ' ' ILE . 2.0 mp -117.12 143.84 26.4 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.311 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.543 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 6.5 t70 -80.35 134.19 36.01 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.428 ' HB2' HG13 ' A' ' 65' ' ' ILE . . . -93.09 -15.71 25.77 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.147 0.499 . . . . 0.0 110.532 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -70.16 -52.84 20.33 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.951 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 25.2 t-20 -119.72 -3.92 10.27 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.926 -177.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 28.2 mtpp 72.83 35.72 0.99 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.299 0.64 . . . . 0.0 110.869 -177.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -81.25 127.39 32.65 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.597 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.0 mp -74.96 99.69 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 175.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.497 HD11 ' HB2' ' A' ' 77' ' ' ASP . 77.4 mt -73.25 -59.26 3.55 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.671 -175.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -163.14 157.21 20.3 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.106 -0.637 . . . . 0.0 112.089 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -149.73 124.1 9.61 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -146.6 158.62 43.93 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.04 0.447 . . . . 0.0 111.751 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.63 167.06 22.5 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.241 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.435 HG12 ' HA ' ' A' ' 141' ' ' PHE . 9.7 tp -59.59 -31.17 46.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -176.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -15.58 62.31 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -78.25 -20.34 51.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.311 0.577 . . . . 0.0 109.791 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.7 mt -98.63 125.91 51.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 28.5 p -99.17 -30.76 12.1 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.548 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 35.8 t -153.97 158.07 40.1 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.123 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.87 116.1 7.96 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.29 133.87 35.48 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.393 -0.523 . . . . 0.0 112.052 -177.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.426 ' HB3' HG13 ' A' ' 134' ' ' ILE . 13.1 pt20 -85.37 151.97 23.61 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.516 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 20.9 t70 -65.65 122.42 80.44 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.625 0.25 . . . . 0.0 110.543 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 52.0 Cg_exo -54.05 -45.26 42.31 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 123.275 2.65 . . . . 0.0 114.256 -177.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -84.13 -38.67 20.42 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -175.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 19.4 t70 -121.63 104.04 9.33 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.026 0.441 . . . . 0.0 110.084 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 71.5 mt -77.62 7.02 6.15 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -175.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.9 m -96.45 10.85 36.98 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.444 0.64 . . . . 0.0 110.462 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 123' ' ' THR . 9.7 t -145.63 148.82 33.51 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.071 178.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.425 ' HB2' HD11 ' A' ' 134' ' ' ILE . 52.2 p90 -148.25 159.98 43.42 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.042 0.449 . . . . 0.0 111.675 -176.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.24 127.83 20.16 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.521 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -112.53 143.9 42.91 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.098 0.475 . . . . 0.0 110.278 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.6 mt -96.65 126.47 49.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.142 -178.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.14 145.9 48.99 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.03 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -94.87 94.81 8.26 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -72.8 97.53 2.24 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.498 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.428 HD23 ' H ' ' A' ' 112' ' ' LEU . 2.4 pt? -62.98 -13.26 32.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.569 -0.742 . . . . 0.0 112.241 -177.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -82.39 -25.94 33.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.783 0.325 . . . . 0.0 110.685 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.5 p -115.28 -8.08 12.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.15 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.1 t30 62.79 27.44 16.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.454 0.702 . . . . 0.0 110.729 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.554 ' HB3' HD11 ' A' ' 30' ' ' LEU . 64.2 m80 -135.76 165.69 25.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -95.7 117.46 30.54 Favored 'General case' 0 C--O 1.254 1.291 0 CA-C-O 121.906 0.86 . . . . 0.0 112.178 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 30' ' ' LEU . 16.2 m-85 -102.67 132.87 48.5 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 114.68 -1.145 . . . . 0.0 110.959 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 49.9 t -92.61 105.83 17.92 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -93.57 108.16 19.91 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.425 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.3 p -101.42 132.55 47.02 Favored 'Isoleucine or valine' 0 C--O 1.25 1.087 0 CA-C-O 121.393 0.616 . . . . 0.0 111.893 -176.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.577 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 10.7 m-85 -129.98 146.53 51.67 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.642 178.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.572 HG23 ' HB3' ' A' ' 24' ' ' ALA . 3.0 t -112.76 164.5 13.3 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 175.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -122.34 164.12 18.51 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.265 0.555 . . . . 0.0 112.138 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -85.06 -16.51 40.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.278 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -143.65 139.32 29.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.759 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 8.0 p -62.51 -39.8 85.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -177.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 132' ' ' GLU . 9.4 t30 -71.06 -35.03 71.75 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.92 -41.64 96.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.441 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.21 -52.27 65.51 Favored 'General case' 0 C--O 1.249 1.073 0 CA-C-O 121.127 0.489 . . . . 0.0 110.177 177.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.09 -31.78 73.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.251 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 1.3 tp10 -65.26 -45.45 84.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.227 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.29 -47.8 91.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.406 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.426 HG13 ' HB3' ' A' ' 97' ' ' GLN . 21.7 mm -60.0 -42.64 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 120.859 0.362 . . . . 0.0 110.753 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.25 -44.07 97.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.303 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 25.0 m -64.67 -40.55 95.59 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.559 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 77.2 mt -60.29 -47.03 87.76 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.287 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.51 -46.32 94.13 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.004 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -60.47 -43.31 97.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.003 0.43 . . . . 0.0 110.473 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.61 -29.64 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.078 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.435 ' HA ' HG12 ' A' ' 89' ' ' ILE . 78.3 t80 -77.61 -45.33 25.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.168 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -70.11 -37.52 75.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.768 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.4 p -67.57 -4.74 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 121.035 0.445 . . . . 0.0 111.402 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.672 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.367 179.316 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.567 ' OG ' ' HB2' ' A' ' 69' ' ' SER . 1.3 m . . . . . 0 CA--C 1.515 -0.396 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.0 t -109.59 142.1 41.16 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -102.45 109.91 21.7 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.43 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.449 ' CD2' HG12 ' A' ' 133' ' ' ILE . 69.5 m-85 -118.67 138.39 52.65 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 122.339 -0.225 . . . . 0.0 111.253 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -101.38 114.42 28.39 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.45 172.82 8.42 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.847 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.539 ' HB3' HG23 ' A' ' 123' ' ' THR . . . -97.81 122.13 40.55 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.481 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 1.0 OUTLIER -74.05 93.51 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.619 -177.681 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.1 tp -73.33 -55.61 6.17 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.04 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.46 160.0 21.07 Favored Glycine 0 N--CA 1.44 -1.091 0 C-N-CA 119.535 -1.316 . . . . 0.0 113.549 176.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.2 m -120.18 98.32 6.01 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -97.34 139.54 33.13 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.492 -173.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.417 HD13 ' CE2' ' A' ' 118' ' ' TYR . 20.1 tp -88.45 119.94 29.35 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.452 -177.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.466 HD11 ' SG ' ' A' ' 119' ' ' CYS . 22.0 mm -102.09 143.8 14.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.926 -177.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -83.96 -64.82 1.09 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.553 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -112.23 133.64 54.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.77 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -92.29 132.44 36.7 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.398 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -146.5 84.77 1.63 Allowed 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.382 0.61 . . . . 0.0 110.826 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 55.44 -142.08 37.29 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.056 -0.975 . . . . 0.0 112.894 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -90.12 4.56 50.03 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.785 0.326 . . . . 0.0 110.685 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -69.99 -36.26 75.03 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 m -63.8 -45.99 87.2 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.184 0.516 . . . . 0.0 110.391 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.7 p -67.31 -38.43 84.93 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.786 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -69.57 -37.88 77.17 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.283 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 18.2 t70 -56.63 -50.15 72.88 Favored 'General case' 0 C--O 1.25 1.113 0 CA-C-O 121.434 0.635 . . . . 0.0 109.291 176.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.03 65.67 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.799 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.3 t -55.83 -45.82 78.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.954 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.87 -47.52 84.64 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.996 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 2.3 ptpp? -66.43 -48.17 70.87 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.133 -0.627 . . . . 0.0 112.354 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -69.09 -33.05 72.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.863 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -62.99 -45.61 91.61 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.27 86.7 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.851 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -69.32 -41.5 76.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.318 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 48.5 t . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.806 -179.643 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.463 HG23 ' HB1' ' A' ' 24' ' ' ALA . 33.3 m . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 120.674 0.273 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.45 153.79 76.69 Favored 'Trans proline' 0 C--O 1.243 0.732 0 C-N-CA 122.633 2.222 . . . . 0.0 112.667 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.6 m -81.15 132.56 35.36 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.506 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.545 HD11 ' HB3' ' A' ' 75' ' ' PHE . 1.3 tt -116.83 142.83 28.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.17 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.448 HG13 ' HB2' ' A' ' 78' ' ' ALA . 54.2 mt -95.52 100.92 11.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 CA-C-O 121.574 0.702 . . . . 0.0 109.519 176.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.4 mt -81.08 101.31 9.52 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.675 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.498 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 5.5 m -93.41 105.55 17.6 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.2 p -110.88 126.7 68.26 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.567 ' HB2' ' OG ' ' A' ' 18' ' ' SER . 42.1 t -129.6 153.21 48.29 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.792 178.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.32 -12.27 60.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.953 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -104.84 -7.23 19.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.326 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.06 172.28 32.32 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 119.73 -1.224 . . . . 0.0 112.635 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.6 m -128.0 146.04 34.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-O 121.205 0.526 . . . . 0.0 111.434 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.509 ' HD3' ' HB3' ' A' ' 86' ' ' GLU . 5.5 tppt? -132.22 109.59 10.04 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.195 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.545 ' HB3' HD11 ' A' ' 64' ' ' ILE . 10.5 m-85 -98.22 105.33 17.46 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -178.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.465 HD11 ' HG2' ' A' ' 74' ' ' LYS . 13.0 mt -116.37 142.59 29.27 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.017 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.115 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.622 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 1.2 t70 -78.12 148.89 33.97 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.448 ' HB2' HG13 ' A' ' 65' ' ' ILE . . . -94.69 -19.33 20.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.815 0.34 . . . . 0.0 111.743 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 m -71.08 -56.57 5.85 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.173 0.511 . . . . 0.0 111.689 -176.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 51.4 t30 -113.97 -6.2 13.16 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.967 -177.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.622 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 14.1 mptt 70.7 33.59 2.26 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.815 -176.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -70.04 127.53 33.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.725 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.5 mp -77.43 95.34 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.492 HD11 ' HB2' ' A' ' 77' ' ' ASP . 59.7 mt -70.14 -56.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 114.92 -1.037 . . . . 0.0 111.062 -176.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -165.72 142.98 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.586 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.509 ' HB3' ' HD3' ' A' ' 74' ' ' LYS . 13.5 pt-20 -136.59 136.72 39.47 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -144.05 164.27 31.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.432 -177.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -75.24 163.67 27.26 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.55 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.5 tp -62.46 -29.8 47.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.402 0.62 . . . . 0.0 109.562 177.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 90' ' ' ARG . 42.8 mtm180 -64.82 -12.97 54.04 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.521 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.421 ' OD1' ' HB ' ' A' ' 109' ' ' THR . 0.0 OUTLIER -84.75 -23.45 29.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.71 0.29 . . . . 0.0 110.894 -179.576 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 mt -79.03 126.8 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -106.41 -33.88 7.59 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.726 -176.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 38.8 t -158.14 163.02 37.99 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.755 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.17 116.32 10.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.962 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.07 176.67 7.18 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.777 0.322 . . . . 0.0 110.674 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.514 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 13.9 pt20 -142.43 174.63 10.45 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.202 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.43 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 12.9 t70 -87.44 133.2 38.85 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.01 -41.35 7.66 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.889 2.393 . . . . 0.0 113.627 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.31 -40.38 14.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.785 0.326 . . . . 0.0 111.546 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 10.7 t70 -103.91 93.97 5.16 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.29 0.567 . . . . 0.0 109.546 178.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.4 mt -71.1 -2.6 16.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.88 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t -100.69 9.28 42.64 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-O 121.028 0.442 . . . . 0.0 109.991 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 123' ' ' THR . 63.6 m -129.91 139.24 51.17 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.931 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.514 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 42.8 p90 -140.4 163.88 31.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.905 0.384 . . . . 0.0 111.93 -177.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 120' ' ' HIS . . . -151.47 117.72 5.61 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.684 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -112.59 145.33 40.54 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.051 0.453 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 69.3 mt -93.2 123.88 45.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.363 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.421 ' HB ' ' OD1' ' A' ' 91' ' ' ASN . 2.4 p -123.82 147.48 47.55 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 114.843 -1.072 . . . . 0.0 109.454 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.437 ' O ' ' HD2' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -130.74 126.0 35.3 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 121.281 0.563 . . . . 0.0 112.352 -179.371 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -111.78 118.27 35.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.573 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.84 -27.32 68.69 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.972 -176.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -77.12 -17.02 58.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.396 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 115' ' ' ASN . 50.7 m -101.7 -7.3 22.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' A' ' 114' ' ' SER . 28.3 t30 72.63 -58.73 0.59 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.902 0.481 . . . . 0.0 112.167 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -83.41 174.43 10.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.083 0.468 . . . . 0.0 111.578 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -105.08 140.37 38.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.401 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.417 ' CE2' HD13 ' A' ' 30' ' ' LEU . 96.0 m-85 -102.58 129.34 49.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.909 -178.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.466 ' SG ' HD11 ' A' ' 31' ' ' ILE . 27.0 p -98.24 112.75 24.63 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' A' ' 106' ' ' ALA . 19.8 m80 -89.97 104.12 16.72 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.187 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.8 p -104.26 121.0 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 CA-C-O 121.787 0.804 . . . . 0.0 110.478 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.481 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 94.0 m-85 -129.57 140.92 51.08 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.66 -179.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.539 HG23 ' HB3' ' A' ' 24' ' ' ALA . 3.5 t -111.8 128.59 56.15 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.318 0.58 . . . . 0.0 109.819 178.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.21 161.21 15.16 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.365 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -87.14 -13.02 45.28 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.373 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -139.56 142.61 37.16 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.291 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.69 -40.6 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.398 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -62.87 -39.78 95.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.426 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -61.97 -46.24 90.12 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.07 90.58 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.352 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.55 -41.15 98.45 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.015 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -59.14 -45.04 91.99 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.949 0.404 . . . . 0.0 110.944 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.449 HG12 ' CD2' ' A' ' 21' ' ' TYR . 52.8 mt -62.47 -48.12 89.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.644 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.426 HD11 ' HB2' ' A' ' 105' ' ' PHE . 43.4 mm -62.45 -40.42 88.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.612 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.16 -48.59 81.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.997 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 24.8 m -64.51 -44.04 92.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.001 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.02 -46.37 91.0 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.863 0.363 . . . . 0.0 110.779 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.72 -41.16 99.87 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.947 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -67.34 -41.82 84.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.792 0.33 . . . . 0.0 110.562 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.19 -47.83 84.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.758 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -66.55 -37.43 84.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.055 0.455 . . . . 0.0 110.484 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.25 -49.5 71.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.922 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.68 -18.69 21.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.953 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 120.925 0.393 . . . . 0.0 110.715 179.191 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.447 ' HB3' ' HB2' ' A' ' 69' ' ' SER . 57.8 p . . . . . 0 N--CA 1.442 -0.835 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.9 t -118.48 131.23 56.26 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -106.97 129.85 54.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -136.71 157.48 46.66 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.378 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -107.92 106.48 16.76 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.76 168.24 9.56 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.614 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -106.66 121.05 43.57 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.005 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.437 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -68.52 101.73 1.32 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -177.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.2 tp -84.73 -55.24 4.21 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.002 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.71 165.24 37.61 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 119.272 -1.442 . . . . 0.0 114.012 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.2 p -132.39 110.61 10.67 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 176.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -103.82 139.76 38.58 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.562 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.443 HD23 ' CZ ' ' A' ' 118' ' ' TYR . 2.5 tm? -84.87 125.62 32.78 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.382 177.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.513 HG21 ' HB3' ' A' ' 34' ' ' LEU . 14.7 mm -104.84 121.18 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.561 179.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -64.35 -54.62 30.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.008 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -140.25 134.47 31.11 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.234 -0.894 . . . . 0.0 108.879 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.513 ' HB3' HG21 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -133.45 148.86 51.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -174.575 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.3 mtp85 -141.72 108.32 5.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.026 176.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.22 -129.11 25.86 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.186 -0.53 . . . . 0.0 113.712 177.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 t -105.87 8.58 32.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.929 0.395 . . . . 0.0 111.595 -176.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.3 -47.7 81.19 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.68 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 m -69.3 -37.06 77.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.131 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.512 HG23 HD11 ' A' ' 108' ' ' ILE . 7.3 p -64.08 -49.22 73.12 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 110.36 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.66 -33.45 74.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.641 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -59.02 -50.76 72.88 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.004 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.04 -51.67 67.05 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.853 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.6 m -51.93 -51.23 58.43 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.394 0.433 . . . . 0.0 111.712 -178.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.09 -55.62 20.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.975 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -62.6 -42.47 99.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.975 0.417 . . . . 0.0 111.424 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.5 ttp -64.67 -45.3 87.3 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.687 -178.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -67.18 -32.92 74.33 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 119.775 -0.77 . . . . 0.0 110.34 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.74 -34.21 77.34 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-O 121.17 0.51 . . . . 0.0 110.234 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -76.75 -41.47 44.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.212 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.5 t . . . . . 0 C--O 1.239 0.5 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.61 -178.324 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.614 HG23 ' HB1' ' A' ' 24' ' ' ALA . 20.4 m . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.517 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 30.5 Cg_exo -38.39 118.72 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 C-N-CA 123.79 2.993 . . . . 0.0 113.98 -179.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.5 m -77.01 132.07 38.77 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.528 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.617 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -128.34 136.2 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.118 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.465 -178.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 65.8 mt -84.49 114.31 24.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.491 0.662 . . . . 0.0 111.224 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.485 HD21 ' CD2' ' A' ' 122' ' ' PHE . 1.5 mm? -84.76 103.93 14.28 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.54 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.494 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 20.1 m -105.28 99.79 9.39 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 176.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.3 p -103.75 129.71 55.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.062 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 18' ' ' SER . 32.3 t -146.68 153.81 40.71 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.33 -8.78 56.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.261 0.553 . . . . 0.0 109.958 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -98.81 4.78 47.67 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.128 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.44 161.05 9.18 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.637 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.0 m -119.34 138.96 48.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-O 121.164 0.507 . . . . 0.0 110.705 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.494 ' HG3' ' HB2' ' A' ' 67' ' ' SER . 15.0 ptpt -138.47 136.28 36.02 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.477 0.656 . . . . 0.0 110.956 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.617 ' HB3' HD11 ' A' ' 64' ' ' ILE . 11.7 m-85 -117.41 104.75 11.42 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.347 -176.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.3 mp -110.46 147.6 14.53 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.179 -176.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.595 ' HB3' ' H ' ' A' ' 82' ' ' ASN . 12.4 t70 -64.38 149.86 47.47 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.15 -26.59 17.35 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -100.94 -34.84 9.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.051 0.453 . . . . 0.0 111.333 -177.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -100.63 -21.13 15.36 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.151 0.501 . . . . 0.0 110.157 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 24.6 ttpp 63.75 29.91 14.76 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.319 -179.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.595 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 26.2 t-20 -79.49 134.07 36.51 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.364 178.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.3 tp -72.02 95.08 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.92 0.867 . . . . 0.0 109.815 176.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.6 mt -72.75 -55.32 13.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.892 -175.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.85 142.07 19.44 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.696 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -142.78 142.96 31.99 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.086 0.47 . . . . 0.0 110.389 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -150.82 163.54 38.38 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.71 155.13 40.82 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 6.1 tp -60.22 -36.01 65.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-O 121.141 0.496 . . . . 0.0 110.867 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -70.21 -8.76 52.52 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.089 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 27.9 t-20 -78.23 -21.66 49.61 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.968 0.414 . . . . 0.0 110.121 178.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.7 mt -76.44 116.79 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.2 p -89.68 -28.53 19.39 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.292 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.447 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 46.9 t -151.97 150.16 29.69 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.944 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.59 122.33 19.85 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -153.34 -169.2 3.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.923 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -154.71 178.96 9.53 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.755 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.598 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 12.5 t70 -70.8 142.53 88.35 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.653 -179.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 15.7 Cg_exo -68.63 -28.52 31.15 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.817 2.344 . . . . 0.0 113.984 -179.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.49 ' HG2' ' OD1' ' A' ' 98' ' ' ASP . 14.4 pt-20 -105.35 -34.96 7.68 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.136 -177.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.598 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 14.3 t70 -111.96 100.78 9.16 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.259 -179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.0 mp -81.25 10.9 4.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.366 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.414 ' HB2' HG22 ' A' ' 127' ' ' VAL . 8.0 t -95.09 -11.93 27.41 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 177.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.3 m -105.14 117.94 35.27 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.619 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.422 ' HB2' HD11 ' A' ' 134' ' ' ILE . 38.4 p90 -112.18 144.47 41.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.812 0.339 . . . . 0.0 110.952 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.436 ' HB1' ' SG ' ' A' ' 119' ' ' CYS . . . -135.15 120.58 19.16 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 -177.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 44.9 p90 -114.82 143.01 45.78 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 120.895 0.378 . . . . 0.0 110.235 178.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.512 HD11 HG23 ' A' ' 40' ' ' THR . 70.7 mt -108.74 121.0 61.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.554 -179.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 12.1 p -108.85 159.92 16.4 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.164 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 91' ' ' ASN . 22.4 pttp -104.33 113.8 27.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.029 0.442 . . . . 0.0 111.182 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -101.42 96.2 6.99 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.954 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 29.1 tp -66.22 -12.02 53.58 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.666 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -65.31 -33.33 75.72 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.4 p -113.19 -9.75 13.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.249 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 64.1 t30 64.54 31.31 12.44 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.745 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -131.5 177.29 7.61 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.268 177.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.478 ' HB3' ' CG2' ' A' ' 108' ' ' ILE . 29.8 m-70 -112.58 134.14 54.26 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.818 0.342 . . . . 0.0 110.304 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.443 ' CZ ' HD23 ' A' ' 30' ' ' LEU . 55.2 m-85 -111.81 134.01 53.65 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.707 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.436 ' SG ' ' HB1' ' A' ' 106' ' ' ALA . 52.4 t -101.17 102.88 13.89 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.195 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 77.7 m-70 -93.07 109.6 21.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.4 p -116.41 129.94 72.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 CA-C-O 121.306 0.574 . . . . 0.0 111.599 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.485 ' CD2' HD21 ' A' ' 66' ' ' LEU . 8.3 m-85 -126.11 154.54 42.96 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.996 -178.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 39.9 p -101.66 117.42 34.86 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.376 178.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.408 ' HB1' HD22 ' A' ' 129' ' ' LEU . . . -79.15 154.63 29.17 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -83.8 -8.33 59.25 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.038 0.447 . . . . 0.0 110.173 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -142.06 135.93 29.66 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.73 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.414 HG22 ' HB2' ' A' ' 103' ' ' SER . 96.7 t -62.82 -47.64 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.555 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -60.32 -38.24 83.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.041 0.448 . . . . 0.0 110.076 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.408 HD22 ' HB1' ' A' ' 124' ' ' ALA . 8.3 tt -58.56 -49.95 75.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.755 177.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.45 99.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.619 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.43 -39.68 91.67 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.845 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.33 -42.97 99.01 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.979 178.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 71.2 mt -58.33 -49.01 83.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.265 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.422 HD11 ' HB2' ' A' ' 105' ' ' PHE . 46.5 mm -59.42 -43.31 90.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.526 178.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.64 -47.37 86.53 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 11.6 m -60.84 -45.44 94.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.613 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.42 -44.92 96.3 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.403 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -63.17 -46.26 93.57 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.201 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -63.47 -44.9 93.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.02 92.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.357 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -67.86 -36.09 79.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.152 0.501 . . . . 0.0 110.152 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -71.83 -46.65 57.37 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.242 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.7 p -63.59 -8.38 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-O 120.907 0.384 . . . . 0.0 111.825 -176.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.523 178.872 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 N--CA 1.442 -0.847 0 CA-C-O 121.007 0.432 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.579 ' HB3' ' CE2' ' A' ' 21' ' ' TYR . 66.5 m -98.58 94.48 6.7 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.92 103.09 15.84 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.025 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 19' ' ' CYS . 51.7 m-85 -118.44 176.02 5.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.753 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -122.84 127.44 49.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.085 0.469 . . . . 0.0 111.507 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.34 -177.72 3.88 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.758 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -121.65 112.0 17.89 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.015 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.489 ' O ' ' HB ' ' A' ' 61' ' ' VAL . 3.5 t80 -57.76 116.21 3.3 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.455 1.102 . . . . 0.0 111.71 -175.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.421 ' H ' ' HB3' ' A' ' 122' ' ' PHE . 19.0 tp -99.45 -59.07 1.79 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.73 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.66 144.21 8.22 Favored Glycine 0 C--N 1.341 0.834 0 C-N-CA 119.799 -1.191 . . . . 0.0 113.424 177.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.9 p -110.08 113.41 26.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.43 ' HE1' ' SD ' ' A' ' 47' ' ' MET . 1.5 tpp -108.37 145.28 34.74 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.247 -175.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.483 HD13 ' CE2' ' A' ' 118' ' ' TYR . 60.7 tp -105.65 117.09 33.13 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.236 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.483 ' CG2' HD21 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -120.52 176.67 3.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -113.31 -73.41 0.66 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -115.55 125.97 53.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -178.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.483 HD21 ' CG2' ' A' ' 31' ' ' ILE . 29.8 mt -128.87 169.51 14.51 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.733 -173.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -148.74 85.93 1.51 Allowed 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.68 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.71 -157.1 26.15 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.084 -0.579 . . . . 0.0 113.987 175.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.1 t -77.49 -0.62 26.81 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.006 0.431 . . . . 0.0 111.517 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -55.75 -41.11 73.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.984 0.421 . . . . 0.0 110.735 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.448 ' HB2' HD22 ' A' ' 34' ' ' LEU . 28.1 t -69.89 -40.95 75.34 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.703 -178.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.9 p -63.72 -38.73 92.22 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 120.614 -0.434 . . . . 0.0 109.889 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -70.99 -36.03 72.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.13 178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -55.56 -58.76 6.43 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-O 121.353 0.597 . . . . 0.0 109.838 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.12 -49.49 77.06 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.553 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 53.5 t -51.07 -56.25 13.52 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.435 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.51 -41.07 76.06 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.689 -178.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -61.17 -52.95 62.67 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.13 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.43 ' SD ' ' HE1' ' A' ' 29' ' ' MET . 5.0 mpp? -68.4 -25.06 64.86 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.463 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 44' ' ' CYS . 52.4 mtt180 -58.45 -51.42 69.94 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.32 -32.16 72.95 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.17 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -72.26 -44.66 62.49 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.606 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -175.744 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.758 HG23 ' HB1' ' A' ' 24' ' ' ALA . 1.6 m . . . . . 0 N--CA 1.438 -1.066 0 CA-C-O 120.366 0.127 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -61.91 142.66 93.87 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 123.359 2.706 . . . . 0.0 113.355 -176.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.1 m -76.16 127.23 32.5 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -118.94 130.1 74.22 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.438 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.8 mt -85.15 117.56 30.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.566 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.9 mt -97.21 105.26 17.37 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.315 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.466 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 28.3 t -99.56 99.34 10.2 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.507 HG13 ' HB2' ' A' ' 19' ' ' CYS . 3.1 p -108.55 119.57 58.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.936 -177.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.7 p -127.67 159.62 34.14 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.267 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.92 -0.19 4.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -125.45 8.19 7.73 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 122.374 -0.204 . . . . 0.0 111.543 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 159.17 159.88 10.01 Favored Glycine 0 CA--C 1.51 -0.224 0 C-N-CA 120.062 -1.066 . . . . 0.0 112.759 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 23.8 t -130.46 132.66 64.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-O 121.189 0.519 . . . . 0.0 110.539 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.534 ' HE2' ' OE1' ' A' ' 86' ' ' GLU . 36.3 ttmt -121.22 141.45 50.85 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.21 -177.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.521 ' HB3' HD11 ' A' ' 64' ' ' ILE . 3.8 m-85 -126.9 111.81 14.58 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.199 -177.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.5 mp -122.46 146.41 27.72 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.923 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.443 ' HB3' ' HB3' ' A' ' 82' ' ' ASN . 8.2 t70 -81.23 137.9 35.82 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 176.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.0 1.28 42.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.72 0.295 . . . . 0.0 111.392 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 m -79.83 -53.92 6.33 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.038 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -130.89 7.59 4.74 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.26 0.552 . . . . 0.0 109.966 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? 67.1 85.05 0.15 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.353 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.443 ' HB3' ' HB3' ' A' ' 77' ' ' ASP . 44.3 t30 -128.79 127.13 41.36 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.069 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.424 HD12 ' N ' ' A' ' 83' ' ' ILE . 3.7 mp -78.74 92.18 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 177.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.1 mt -67.83 -50.72 57.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 114.92 -1.037 . . . . 0.0 111.213 -176.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -159.93 154.01 23.3 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.108 0.48 . . . . 0.0 111.895 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.534 ' OE1' ' HE2' ' A' ' 74' ' ' LYS . 38.1 tt0 -145.76 113.06 6.2 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 177.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -135.52 162.97 31.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.15 0.5 . . . . 0.0 112.294 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -72.07 158.54 35.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.989 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.3 tt -60.32 -46.08 95.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-O 120.792 0.33 . . . . 0.0 111.449 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -74.15 3.96 6.32 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -78.37 -17.99 55.71 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.503 ' HA ' HG22 ' A' ' 109' ' ' THR . 21.2 mt -88.18 131.67 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.283 178.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 m -84.8 -41.14 16.39 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.597 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 45.3 t -166.13 164.15 17.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.425 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.27 130.73 29.11 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -139.15 169.23 18.15 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.923 0.392 . . . . 0.0 110.565 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -127.03 157.15 40.36 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.164 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.497 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 10.2 t70 -70.66 124.3 90.66 Favored Pre-proline 0 C--N 1.311 -1.084 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.346 -178.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 18.6 Cg_exo -67.67 -36.86 17.86 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.088 2.525 . . . . 0.0 113.752 -178.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.4 ' HG3' HH22 ' A' ' 48' ' ' ARG . 7.4 pt-20 -89.0 -24.68 22.32 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -176.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 15.2 t70 -126.59 95.74 4.45 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 173.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.728 ' H ' HD23 ' A' ' 102' ' ' LEU . 1.6 pt? -71.11 8.95 0.82 Allowed 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.43 -0.804 . . . . 0.0 113.118 -176.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.6 t -111.68 12.35 21.13 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.438 0.637 . . . . 0.0 109.302 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.7 m -128.37 142.32 51.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.325 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.517 ' CE2' ' HE1' ' A' ' 122' ' ' PHE . 24.5 p90 -151.74 165.07 35.56 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.563 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -146.51 151.23 37.03 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.219 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.427 ' HE1' ' CE2' ' A' ' 122' ' ' PHE . 18.7 p90 -130.24 137.19 49.91 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.789 177.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.0 mt -100.25 122.45 52.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.9 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 92' ' ' ILE . 43.4 p -121.45 -168.75 1.74 Allowed 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.503 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.447 ' O ' ' HD2' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -153.64 131.71 11.81 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 120.852 0.358 . . . . 0.0 110.161 174.425 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -93.89 123.85 37.52 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.81 -21.66 66.03 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.132 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -80.82 -13.18 59.18 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.973 0.416 . . . . 0.0 110.96 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.3 m -115.1 -21.85 9.8 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.398 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 62.9 t30 62.62 21.59 12.79 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.803 0.841 . . . . 0.0 111.0 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -130.42 169.01 16.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.376 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -95.69 130.37 42.61 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -173.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.483 ' CE2' HD13 ' A' ' 30' ' ' LEU . 5.2 m-85 -100.74 117.4 34.76 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.708 178.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 51.0 t -96.99 103.11 15.0 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -103.26 111.22 23.52 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.253 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.4 p -113.83 139.88 37.18 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.556 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.517 ' HE1' ' CE2' ' A' ' 105' ' ' PHE . 0.2 OUTLIER -152.33 168.02 26.79 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-O 121.226 0.536 . . . . 0.0 111.805 178.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 50.5 p -98.9 149.67 22.69 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.026 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -105.84 159.95 15.62 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 120.629 0.252 . . . . 0.0 110.358 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -73.78 -31.85 63.49 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.183 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -142.47 151.3 41.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.765 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.2 t -60.1 -45.72 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.107 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -63.3 -40.57 97.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.816 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.492 ' O ' HG13 ' A' ' 133' ' ' ILE . 3.1 tm? -60.04 -46.24 90.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.802 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.02 77.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.057 0.456 . . . . 0.0 110.943 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.53 99.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.096 -178.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 129' ' ' LEU . 10.1 pt-20 -69.06 -36.37 77.58 Favored 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.935 -178.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 129' ' ' LEU . 31.6 mt -61.08 -45.51 98.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 174.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 37.3 mm -58.78 -42.46 85.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.878 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.4 tt -58.74 -46.71 86.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.265 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.9 m -64.25 -44.45 91.75 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 81.2 mt -58.42 -50.01 75.22 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.73 0.3 . . . . 0.0 110.899 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.85 -44.62 97.83 Favored Glycine 0 C--O 1.241 0.592 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.089 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -59.02 -44.28 91.7 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.42 -46.86 85.63 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.175 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.25 -43.88 98.16 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 111.18 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.21 -41.39 90.22 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.75 -11.82 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 120.965 0.412 . . . . 0.0 111.151 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.348 0 CA-C-O 120.959 0.409 . . . . 0.0 110.708 179.018 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.1 p . . . . . 0 N--CA 1.444 -0.733 0 CA-C-O 120.927 0.394 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.567 ' HB2' HG13 ' A' ' 68' ' ' VAL . 74.9 m -96.09 104.85 16.82 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.286 -179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -97.04 118.83 34.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.571 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.507 ' CD1' ' HG ' ' A' ' 129' ' ' LEU . 72.4 m-85 -134.16 179.85 6.01 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.983 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -133.81 114.52 13.46 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.0 177.91 4.47 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.39 -178.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.641 ' O ' ' HB2' ' A' ' 122' ' ' PHE . . . -107.36 111.16 23.36 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.528 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.52 ' O ' ' HB ' ' A' ' 61' ' ' VAL . 4.8 t80 -66.65 104.14 1.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.311 -177.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.466 HD12 HG11 ' A' ' 61' ' ' VAL . 17.4 tp -85.99 -56.51 3.44 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.455 ' HA3' ' SD ' ' A' ' 47' ' ' MET . . . -179.53 157.24 20.12 Favored Glycine 0 C--N 1.337 0.611 0 C-N-CA 120.018 -1.087 . . . . 0.0 113.371 177.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.8 m -118.44 116.1 26.01 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -105.8 138.36 42.13 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.977 0.418 . . . . 0.0 111.752 -176.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.437 ' HG ' ' CE1' ' A' ' 118' ' ' TYR . 4.8 tt -84.43 118.52 24.32 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 mm -114.63 137.12 49.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.201 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -111.06 -35.2 5.98 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.21 0.529 . . . . 0.0 109.794 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -102.67 102.29 12.48 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.093 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.407 HD12 HD13 ' A' ' 108' ' ' ILE . 3.0 mm? -86.45 103.08 14.66 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.726 -177.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.508 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 15.5 ptt180 -108.17 75.86 1.01 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.174 0.511 . . . . 0.0 110.529 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 55.55 -130.55 48.29 Favored Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.332 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.2 p -99.7 9.51 42.98 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.754 0.788 . . . . 0.0 110.073 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.508 ' HB2' ' O ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -71.76 -38.67 70.33 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.77 178.05 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 42' ' ' ASP . 22.4 m -60.64 -41.08 94.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.222 177.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.506 HG22 ' SG ' ' A' ' 119' ' ' CYS . 38.4 p -68.6 -45.64 71.46 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.895 0.378 . . . . 0.0 110.243 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -34.53 77.22 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 39' ' ' SER . 12.1 t0 -57.81 -60.26 3.98 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.363 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.62 -40.76 88.62 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.951 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.463 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 48.6 t -59.96 -56.19 24.75 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.731 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.95 -41.56 74.87 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.746 0.308 . . . . 0.0 111.332 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -58.63 -52.95 63.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.702 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.455 ' SD ' ' HA3' ' A' ' 27' ' ' GLY . 66.1 mtm -70.61 -29.85 66.35 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.865 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 44' ' ' CYS . 55.9 mtt180 -58.62 -48.34 81.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.338 0.589 . . . . 0.0 109.526 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.19 -26.98 62.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.836 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -73.79 -36.77 65.05 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.923 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.1 p . . . . . 0 N--CA 1.471 0.616 0 CA-C-O 120.978 0.418 . . . . 0.0 111.208 -178.108 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.52 ' HB ' ' O ' ' A' ' 25' ' ' TYR . 26.9 m . . . . . 0 N--CA 1.445 -0.707 0 CA-C-O 120.576 0.227 . . . . 0.0 110.775 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.76 146.11 33.31 Favored 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.41 2.073 . . . . 0.0 112.626 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.5 m -81.34 125.9 30.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.258 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.568 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -115.66 137.62 48.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.226 -178.253 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.425 HD11 ' HB2' ' A' ' 78' ' ' ALA . 2.1 mp -79.73 112.03 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.315 0.578 . . . . 0.0 110.574 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.08 97.74 11.12 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.35 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.506 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 48.8 m -108.34 101.13 10.35 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.543 0.687 . . . . 0.0 110.57 179.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.567 HG13 ' HB2' ' A' ' 19' ' ' CYS . 2.2 p -110.12 115.27 49.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.682 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.44 ' OG ' ' HG2' ' A' ' 71' ' ' LYS . 38.0 t -121.3 153.03 38.24 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.278 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.61 -13.46 62.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.44 ' HG2' ' OG ' ' A' ' 69' ' ' SER . 17.0 ptpt -103.77 -1.43 27.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.694 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.404 ' O ' ' HB3' ' A' ' 69' ' ' SER . . . 156.14 158.72 8.98 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.402 -0.904 . . . . 0.0 112.388 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.0 m -118.64 143.13 30.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-O 120.867 0.365 . . . . 0.0 110.688 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.506 ' HG3' ' HB2' ' A' ' 67' ' ' SER . 16.0 ptpt -146.19 134.13 21.38 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.53 0.681 . . . . 0.0 110.613 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.568 ' HB3' HD11 ' A' ' 64' ' ' ILE . 9.0 m-85 -122.91 111.12 16.27 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -177.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.4 mp -123.7 153.01 29.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 123.539 0.524 . . . . 0.0 111.665 -174.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.666 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -95.63 153.95 17.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.902 175.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.425 ' HB2' HD11 ' A' ' 65' ' ' ILE . . . -100.67 -11.42 20.0 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.8 m -74.2 -53.33 10.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.953 0.406 . . . . 0.0 110.924 -177.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -124.93 5.99 8.01 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.541 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.666 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 58.2 mttp 63.91 29.53 14.49 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.525 -178.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -72.73 123.75 23.95 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.706 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.742 HD13 ' H ' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -80.58 114.2 21.14 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-O 121.215 0.531 . . . . 0.0 110.68 179.018 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.4 mp -64.06 -43.2 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -171.35 148.51 2.61 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.738 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -151.26 117.73 5.7 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.041 0.448 . . . . 0.0 110.567 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.539 ' NE2' ' HE3' ' A' ' 113' ' ' LYS . 5.1 m-70 -153.15 -174.17 4.84 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.271 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -71.95 159.04 34.92 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.402 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -59.46 -45.33 93.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -177.144 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -75.04 6.68 3.92 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.028 0.442 . . . . 0.0 111.783 -177.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -75.53 -16.54 60.26 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 174.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.18 120.64 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.2 t -77.04 -36.72 55.85 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.742 -176.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 47.3 t -159.39 151.67 21.11 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.086 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.48 120.97 31.04 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.536 ' O ' ' HB2' ' A' ' 105' ' ' PHE . . . -128.63 169.51 14.35 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 120.957 0.408 . . . . 0.0 111.409 -177.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 16.9 pt20 -147.53 162.22 39.52 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.677 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -74.33 129.12 84.81 Favored Pre-proline 0 C--N 1.321 -0.648 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.77 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -57.94 -30.99 91.6 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.671 2.248 . . . . 0.0 112.719 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -75.64 -28.22 58.68 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -156.83 142.84 17.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.852 0.358 . . . . 0.0 111.612 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.29 -5.54 56.18 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.6 t -89.44 17.14 6.54 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.419 0.628 . . . . 0.0 110.503 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.401 HG21 ' NH2' ' A' ' 48' ' ' ARG . 1.5 t -149.52 121.16 8.03 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.182 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.536 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 34.0 p90 -149.85 175.22 11.82 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 120.401 -0.52 . . . . 0.0 112.325 -175.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.48 ' HB2' ' HB ' ' A' ' 121' ' ' VAL . . . -152.83 140.82 20.24 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.945 -177.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -121.14 142.13 50.16 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-O 120.973 0.416 . . . . 0.0 110.039 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.407 HD13 HD12 ' A' ' 34' ' ' LEU . 56.3 mt -100.22 120.91 50.31 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.47 140.83 35.22 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.363 -175.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 tptm -87.93 75.1 8.86 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -82.67 78.3 9.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.578 0.704 . . . . 0.0 109.341 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.7 tp -62.07 -30.47 71.01 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.424 -174.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.539 ' HE3' ' NE2' ' A' ' 87' ' ' HIS . 0.0 OUTLIER -72.26 -17.69 61.87 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.63 -179.394 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.9 m -97.43 -5.86 35.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.949 0.404 . . . . 0.0 110.069 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 64.78 13.38 8.41 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.669 177.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -140.64 170.25 16.13 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.724 0.297 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -102.35 126.09 49.26 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.983 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.437 ' CE1' ' HG ' ' A' ' 30' ' ' LEU . 23.9 m-85 -104.59 126.23 51.48 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.049 0.452 . . . . 0.0 111.32 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.506 ' SG ' HG22 ' A' ' 40' ' ' THR . 33.2 t -101.63 100.55 10.96 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.507 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -89.75 104.13 16.71 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.48 ' HB ' ' HB2' ' A' ' 106' ' ' ALA . 1.2 p -109.1 130.03 62.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.244 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.641 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 22.9 p90 -153.61 168.2 26.98 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 121.204 0.526 . . . . 0.0 111.351 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 50.6 p -107.45 170.61 7.87 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.324 -177.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.499 ' CB ' ' HB2' ' A' ' 130' ' ' ALA . . . -129.5 150.39 50.86 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -77.54 -26.1 50.73 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -122.7 131.0 53.6 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.57 -52.34 62.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.487 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -62.4 -37.18 84.77 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.448 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.507 ' HG ' ' CD1' ' A' ' 21' ' ' TYR . 8.2 tt -56.7 -51.46 68.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.735 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.499 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . . . -64.01 -45.73 87.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.988 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.39 79.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.144 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -70.98 -34.04 71.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.892 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 129' ' ' LEU . 67.3 mt -64.3 -44.97 97.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 30.3 mm -58.77 -43.11 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.287 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.46 -46.43 90.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.545 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 62.3 m -58.14 -52.39 65.77 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.746 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.23 -51.75 67.66 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.404 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.56 -46.84 92.66 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.951 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -64.9 -42.58 94.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.763 0.316 . . . . 0.0 110.826 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.2 86.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -76.34 -40.43 51.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.96 -40.99 95.83 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.868 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.7 p -65.82 -31.62 54.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.226 0.536 . . . . 0.0 110.641 179.335 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 N--CA 1.439 -0.985 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.673 ' SG ' HG21 ' A' ' 136' ' ' THR . 19.4 p -133.49 130.37 38.46 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 120.848 0.356 . . . . 0.0 110.377 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -106.76 95.82 6.0 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.508 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -116.18 138.86 50.91 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.003 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -90.4 121.94 32.82 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.487 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.74 173.6 6.65 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.812 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.496 ' HB1' ' CG2' ' A' ' 61' ' ' VAL . . . -98.82 120.52 39.39 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.33 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.478 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 5.7 t80 -72.35 95.6 1.76 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.962 0.41 . . . . 0.0 109.918 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.409 ' HB3' ' O ' ' A' ' 121' ' ' VAL . 20.3 tp -77.03 -56.92 4.16 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.51 165.79 37.91 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 119.662 -1.256 . . . . 0.0 113.529 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' A' ' 119' ' ' CYS . 28.7 t -144.85 109.65 5.02 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.413 ' HB2' ' HE2' ' A' ' 29' ' ' MET . 2.4 mpp? -107.7 157.7 17.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.708 -175.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.438 HD21 ' CE1' ' A' ' 118' ' ' TYR . 97.2 mt -96.31 105.45 17.52 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.73 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 119' ' ' CYS . 15.1 mm -94.5 117.45 38.24 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.91 -76.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -98.84 108.19 20.81 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -85.09 118.57 24.73 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.923 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -117.21 83.82 2.05 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.616 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.2 -153.24 35.56 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.396 -0.82 . . . . 0.0 114.635 176.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 t -76.68 -2.47 33.0 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.258 0.623 . . . . 0.0 110.955 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -61.85 -50.09 73.65 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.638 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.9 t -74.94 -27.76 60.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.042 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.2 p -67.05 -44.82 79.21 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 120.254 -0.579 . . . . 0.0 109.826 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -69.68 -30.65 68.36 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.724 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.42 -53.2 60.87 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.234 0.54 . . . . 0.0 109.816 175.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.37 87.17 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.096 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.5 t -59.19 -59.5 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.466 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.69 82.59 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.523 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.455 ' NZ ' ' HB2' ' A' ' 46' ' ' LYS . 4.9 ttmp? -58.17 -55.12 39.07 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.931 0.395 . . . . 0.0 111.179 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.419 ' HE1' HG13 ' A' ' 121' ' ' VAL . 49.1 mtm -70.73 -37.41 73.49 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.849 -178.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -63.07 -34.08 76.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.816 0.341 . . . . 0.0 110.485 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.33 -33.7 58.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.945 0.402 . . . . 0.0 110.548 176.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -77.05 -27.03 54.26 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.631 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.8 t . . . . . 0 C--N 1.32 -0.716 0 CA-C-O 120.89 0.376 . . . . 0.0 110.604 179.717 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.496 ' CG2' ' HB1' ' A' ' 24' ' ' ALA . 27.3 m . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -49.04 134.24 29.37 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.931 2.421 . . . . 0.0 112.578 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.8 m -84.72 131.64 34.55 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.543 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.634 HD11 ' HB3' ' A' ' 75' ' ' PHE . 1.3 tt -116.41 135.55 56.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.104 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.57 100.05 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.2 mt -83.27 94.77 7.98 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.612 ' OG ' ' HG3' ' A' ' 74' ' ' LYS . 3.3 p -102.72 97.95 8.05 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.488 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.435 HG21 HD23 ' A' ' 137' ' ' LEU . 1.4 p -106.3 127.21 61.74 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.905 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.2 m -118.52 159.89 22.72 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.309 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.75 -12.93 39.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.65 0.262 . . . . 0.0 111.535 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.535 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . 8.3 mmpt? -111.68 4.82 18.84 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.755 -178.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 156.42 166.3 16.01 Favored Glycine 0 C--O 1.22 -0.761 0 C-N-CA 119.837 -1.173 . . . . 0.0 112.295 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.44 HG11 HD11 ' A' ' 92' ' ' ILE . 7.4 p -131.49 129.16 61.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.265 0.555 . . . . 0.0 111.293 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.612 ' HG3' ' OG ' ' A' ' 67' ' ' SER . 4.3 ptmm? -118.52 135.51 54.36 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.989 -179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.634 ' HB3' HD11 ' A' ' 64' ' ' ILE . 4.3 m-85 -117.98 112.46 20.3 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.17 -176.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.442 ' N ' HD12 ' A' ' 76' ' ' ILE . 3.5 mp -124.28 149.3 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-O 120.638 0.256 . . . . 0.0 110.983 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.625 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -86.9 149.34 24.87 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.903 0.481 . . . . 0.0 110.796 178.206 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.4 -17.28 20.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 m -69.19 -54.23 15.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.877 0.37 . . . . 0.0 111.532 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -125.85 4.36 7.36 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.234 0.54 . . . . 0.0 110.091 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.625 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 13.5 mptt 66.51 38.06 4.33 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.645 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -86.88 130.44 34.46 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 83' ' ' ILE . 3.3 mp -75.32 114.2 15.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-O 120.64 0.257 . . . . 0.0 110.408 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' A' ' 77' ' ' ASP . 2.2 mp -68.74 -46.35 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.246 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -170.76 171.25 6.23 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.366 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -153.16 120.62 5.92 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -139.72 153.14 47.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.078 0.465 . . . . 0.0 111.635 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.07 147.38 38.7 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 175.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.545 HD12 HD12 ' A' ' 92' ' ' ILE . 7.6 tp -59.33 -39.28 78.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -175.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -70.32 -7.51 43.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.511 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -96.15 -2.28 46.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.975 0.417 . . . . 0.0 111.035 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.545 HD12 HD12 ' A' ' 89' ' ' ILE . 28.8 mt -74.61 111.65 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.814 178.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.1 m -55.62 -51.45 67.14 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.538 -177.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 48.9 t -169.36 160.43 9.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.427 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.9 132.19 23.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.355 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -141.84 164.98 28.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.729 0.3 . . . . 0.0 110.927 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 29.8 pt20 -128.71 162.32 27.64 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.75 123.35 83.97 Favored Pre-proline 0 C--N 1.317 -0.84 0 CA-C-O 120.882 0.372 . . . . 0.0 111.364 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -63.16 -29.15 73.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.589 2.193 . . . . 0.0 111.676 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -88.24 -6.8 57.6 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.699 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -154.34 102.61 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.954 0.407 . . . . 0.0 110.505 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.1 mt -80.43 13.98 2.21 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.527 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.1 t -118.09 13.36 13.84 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.2 m -135.05 134.19 40.13 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.891 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 32.1 p90 -138.55 149.16 45.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.172 0.51 . . . . 0.0 111.896 -177.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -139.32 124.25 18.72 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.184 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -133.9 164.16 27.89 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.982 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.31 137.64 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.921 0 CA-C-O 121.204 0.526 . . . . 0.0 112.132 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 118' ' ' TYR . 50.6 p -139.79 123.06 16.99 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.338 -1.301 . . . . 0.0 109.215 178.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.439 ' O ' ' HD2' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -89.86 133.82 34.53 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.299 -0.561 . . . . 0.0 111.113 178.52 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -115.92 141.21 48.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.64 -177.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 112' ' ' LEU . 8.0 tt -59.27 -34.6 72.46 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.545 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.468 ' HB2' ' HZ2' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -87.69 -7.68 57.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.077 0.465 . . . . 0.0 110.858 -177.674 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.413 ' HB2' ' CE2' ' A' ' 118' ' ' TYR . 33.0 t -98.78 -43.63 6.7 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.542 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 19.1 m120 70.52 5.24 5.3 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.403 -177.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -129.42 -179.98 5.46 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.084 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -98.11 114.4 26.58 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.384 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.438 ' CE1' HD21 ' A' ' 30' ' ' LEU . 10.6 m-85 -78.24 108.76 11.8 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.657 178.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.552 ' O ' ' HA ' ' A' ' 28' ' ' SER . 47.2 t -88.24 92.72 9.27 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -89.51 104.83 17.35 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.675 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.419 HG13 ' HE1' ' A' ' 47' ' ' MET . 1.7 p -114.51 115.08 48.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 CA-C-O 121.436 0.636 . . . . 0.0 109.964 178.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 16.6 m-85 -128.71 162.18 27.97 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.588 -177.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.43 HG23 ' HB3' ' A' ' 24' ' ' ALA . 3.2 t -122.03 138.5 54.41 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.111 0.481 . . . . 0.0 110.579 179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.17 159.62 18.8 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.508 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -85.6 -10.42 55.88 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 120.973 0.416 . . . . 0.0 110.208 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.451 ' HB2' ' HB2' ' A' ' 129' ' ' LEU . 25.4 m-20 -144.42 146.53 32.54 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.545 178.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 72.3 t -61.77 -46.69 95.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.898 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.487 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 2.9 t-20 -63.7 -32.75 74.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.182 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 126' ' ' ASP . 2.2 tm? -61.36 -51.03 70.52 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.04 98.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.556 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.3 -45.2 88.41 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.144 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 128' ' ' ASN . 67.9 mm-40 -60.43 -47.92 84.01 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.671 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 79.2 mt -54.84 -55.43 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.121 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 50.8 mm -62.12 -34.5 63.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.075 0.464 . . . . 0.0 110.876 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.78 -54.32 37.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.752 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.673 HG21 ' SG ' ' A' ' 19' ' ' CYS . 9.5 t -68.77 -31.46 70.5 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.606 -178.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.435 HD23 HG21 ' A' ' 68' ' ' VAL . 51.3 mt -61.95 -52.03 65.71 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 175.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -61.64 -45.41 96.34 Favored Glycine 0 C--O 1.217 -0.908 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.746 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -56.87 -48.75 77.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.877 0.37 . . . . 0.0 110.921 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.57 84.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.358 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -75.7 -35.34 60.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.031 0.443 . . . . 0.0 110.565 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -72.17 -43.46 64.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.872 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.07 -24.39 35.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-O 120.996 0.427 . . . . 0.0 111.101 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.208 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.447 -0.613 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.506 ' HB2' HG13 ' A' ' 68' ' ' VAL . 89.2 m -118.53 117.73 29.79 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -115.5 105.59 12.98 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.585 -177.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.597 ' HB3' HD21 ' A' ' 129' ' ' LEU . 70.2 m-85 -124.09 151.79 43.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -176.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -104.46 134.1 48.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.48 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.29 170.67 15.52 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.456 ' HB1' HG21 ' A' ' 61' ' ' VAL . . . -97.95 125.28 42.79 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 178.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.586 ' O ' HG23 ' A' ' 61' ' ' VAL . 36.7 t80 -70.78 96.17 1.22 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.697 -177.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.418 ' HB3' ' O ' ' A' ' 121' ' ' VAL . 24.9 tp -78.26 -51.6 9.91 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 167.97 158.7 12.39 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 119.443 -1.361 . . . . 0.0 113.734 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.4 p -112.61 109.27 18.71 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -104.41 140.07 38.46 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.267 -175.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 116' ' ' HIS . 36.6 tp -96.69 125.74 41.37 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.6 mm -105.58 126.01 60.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.746 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -62.93 -58.73 6.36 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.542 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -117.69 105.56 12.14 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.121 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.693 HD21 HD13 ' A' ' 108' ' ' ILE . 0.8 OUTLIER -75.92 128.52 35.26 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.412 -177.653 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.414 ' N ' HD13 ' A' ' 34' ' ' LEU . 43.9 ptt85 -141.9 93.97 2.62 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.341 0.591 . . . . 0.0 111.885 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.32 -163.32 17.32 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-N 115.346 -0.843 . . . . 0.0 114.441 176.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.3 p -80.62 -1.77 43.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.314 0.578 . . . . 0.0 111.138 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -73.63 -20.81 60.48 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.1 m -71.39 -40.99 70.19 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.585 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.594 HG23 HD11 ' A' ' 108' ' ' ILE . 21.6 p -69.07 -40.16 78.65 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.956 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -58.15 -45.64 87.07 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.846 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -57.28 -50.64 72.28 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.46 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.77 -54.98 26.73 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.759 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 82.4 m -51.6 -52.73 45.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.167 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.67 89.64 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.991 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -56.73 -60.12 4.02 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.481 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -69.76 -38.12 76.64 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -176.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.51 HH12 ' HG3' ' A' ' 100' ' ' GLU . 16.3 ptm180 -66.25 -37.71 86.15 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.591 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.96 -41.91 77.35 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.004 0.431 . . . . 0.0 109.892 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -62.43 -37.0 84.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.521 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.5 t . . . . . 0 CA--C 1.535 0.383 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.57 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 25' ' ' TYR . 7.5 p . . . . . 0 CA--C 1.544 0.726 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -88.01 163.1 7.35 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.748 2.299 . . . . 0.0 111.791 176.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.5 m -94.59 129.68 41.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.951 0.405 . . . . 0.0 110.86 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.66 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -111.69 136.27 48.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.069 179.046 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.474 HG13 ' HB2' ' A' ' 78' ' ' ALA . 40.8 mt -104.77 113.75 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 176.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.505 HD23 ' CD1' ' A' ' 75' ' ' PHE . 4.4 mp -92.5 105.92 18.0 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.283 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.3 m -96.72 95.68 8.08 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.144 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.506 HG13 ' HB2' ' A' ' 19' ' ' CYS . 3.1 p -106.87 130.05 59.48 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.019 -176.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 t -124.27 156.78 36.3 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.61 -13.7 61.45 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -113.88 7.92 17.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.727 0.299 . . . . 0.0 111.494 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.43 152.19 7.01 Favored Glycine 0 C--O 1.219 -0.801 0 C-N-CA 120.065 -1.064 . . . . 0.0 111.824 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.54 HG11 HD11 ' A' ' 92' ' ' ILE . 6.7 p -135.14 130.18 51.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-O 121.069 0.461 . . . . 0.0 111.398 -176.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' ' 74' ' ' LYS . 12.4 ptpt -130.64 128.19 40.46 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.52 0.676 . . . . 0.0 111.395 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.66 ' HB3' HD11 ' A' ' 64' ' ' ILE . 22.2 m-85 -104.0 114.13 28.17 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.554 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.1 mt -120.1 150.39 22.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.406 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.523 ' HB3' ' H ' ' A' ' 82' ' ' ASN . 13.4 t70 -72.01 149.72 44.69 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.474 ' HB2' HG13 ' A' ' 65' ' ' ILE . . . -84.18 -25.42 29.56 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -175.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 m -94.53 -55.17 3.24 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -114.18 20.55 15.5 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.877 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt 48.4 31.5 2.8 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.856 0.862 . . . . 0.0 112.39 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.523 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 38.6 t30 -55.41 125.81 22.44 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.02 177.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 83' ' ' ILE . 3.6 mp -72.76 100.83 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.084 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.1 mt -82.92 -60.23 2.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -177.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.59 113.73 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.894 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -114.13 121.08 42.7 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.935 176.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -150.42 -171.52 3.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.296 0.57 . . . . 0.0 111.505 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -105.88 154.0 21.16 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.14 177.744 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.458 HD12 HD12 ' A' ' 92' ' ' ILE . 7.4 tp -61.37 -25.08 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 120.817 0.341 . . . . 0.0 111.628 -176.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -65.37 -24.67 67.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.145 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -84.86 -10.04 57.54 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 120.815 0.34 . . . . 0.0 111.296 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.54 HD11 HG11 ' A' ' 73' ' ' VAL . 30.1 mt -82.94 112.23 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 176.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.7 t -79.3 -36.88 38.94 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.386 -175.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.5 t -157.53 162.56 38.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.814 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.01 107.24 4.54 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.15 -179.14 4.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.324 0.583 . . . . 0.0 111.9 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 6.6 pt20 -141.27 163.92 31.65 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.52 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.59 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 11.0 t70 -68.37 139.96 92.41 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-O 120.523 0.201 . . . . 0.0 110.766 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 62.1 Cg_exo -53.22 -48.13 23.75 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.212 2.608 . . . . 0.0 113.891 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.51 ' HG3' HH12 ' A' ' 48' ' ' ARG . 9.1 pt-20 -103.15 -28.36 11.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -175.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.59 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 11.4 t70 -103.64 104.87 14.97 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.056 0.455 . . . . 0.0 110.558 -178.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -82.8 7.63 14.6 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.245 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.7 t -104.55 3.19 31.59 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.1 m -119.72 124.0 45.15 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.909 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.496 ' HB2' HD11 ' A' ' 134' ' ' ILE . 44.4 p90 -124.74 153.74 41.94 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.765 0.316 . . . . 0.0 110.993 -178.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 120' ' ' HIS . . . -147.53 118.53 7.69 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.567 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -109.3 148.44 31.03 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.239 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.693 HD13 HD21 ' A' ' 34' ' ' LEU . 74.7 mt -110.26 126.57 67.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.002 -177.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.404 HG22 HG12 ' A' ' 92' ' ' ILE . 6.8 p -116.96 140.72 49.14 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.368 178.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -85.86 98.29 10.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.479 0.657 . . . . 0.0 109.924 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -89.41 98.79 11.97 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.106 -175.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.2 -23.29 67.26 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.818 -175.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -80.18 -13.16 59.47 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.69 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.4 p -111.44 -4.77 14.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.94 0.4 . . . . 0.0 110.308 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 66.8 t30 67.82 6.84 5.33 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.753 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.487 ' HB2' HD11 ' A' ' 30' ' ' LEU . 97.3 m-70 -136.02 -171.58 2.91 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 121.947 -0.47 . . . . 0.0 111.0 -178.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -104.97 123.81 48.43 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.998 0.428 . . . . 0.0 111.641 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -93.25 120.27 33.35 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.063 177.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 24.5 p -102.01 121.24 41.8 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.438 ' O ' ' HA ' ' A' ' 106' ' ' ALA . 28.8 m170 -102.05 108.21 19.57 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.305 -177.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 7.6 p -101.61 122.36 53.67 Favored 'Isoleucine or valine' 0 C--O 1.247 0.967 0 CA-C-O 121.24 0.543 . . . . 0.0 110.233 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 22.7 m-85 -130.13 142.85 50.55 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.824 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 75.0 p -100.43 116.42 32.34 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.57 164.36 25.43 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 120.815 0.341 . . . . 0.0 110.497 -178.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -95.86 13.61 26.16 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.361 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 129' ' ' LEU . 19.6 t70 -170.81 142.08 1.88 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.769 -178.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.94 -53.79 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.954 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -63.22 -35.44 80.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.944 0.402 . . . . 0.0 110.554 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.597 HD21 ' HB3' ' A' ' 21' ' ' TYR . 5.2 tt -60.01 -48.11 83.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.498 178.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.06 -44.34 96.1 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.392 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.97 -40.21 84.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.553 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -61.8 -43.98 97.78 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.209 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 129' ' ' LEU . 68.6 mt -59.69 -51.23 75.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.266 178.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.496 HD11 ' HB2' ' A' ' 105' ' ' PHE . 33.2 mm -62.48 -43.47 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.591 ' O ' ' HG2' ' A' ' 139' ' ' GLN . 9.9 tt -58.05 -47.75 82.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 32.5 m -63.61 -45.25 91.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 99.1 mt -57.31 -41.04 79.14 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.04 0.448 . . . . 0.0 109.793 176.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -64.52 -38.43 95.73 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.062 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 29.3 mm-40 -65.49 -42.85 91.72 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.989 0.423 . . . . 0.0 110.228 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.62 88.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.823 177.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.45 -34.61 78.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.955 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.65 -48.21 67.36 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.936 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.7 p -69.81 -22.2 24.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-O 120.986 0.422 . . . . 0.0 110.949 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.009 0.433 . . . . 0.0 110.861 178.645 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.435 -1.213 0 CA-C-O 120.984 0.421 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.9 m -111.48 105.28 13.83 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 176.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -108.61 114.57 28.49 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.754 -175.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.413 ' CB ' HD21 ' A' ' 129' ' ' LEU . 41.0 m-85 -136.86 174.98 10.03 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -108.47 120.02 41.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.002 0.43 . . . . 0.0 110.529 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.09 176.05 5.18 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.562 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.493 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -116.42 121.54 42.18 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -71.1 96.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.077 -176.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.484 ' HB3' ' O ' ' A' ' 121' ' ' VAL . 32.3 tp -78.64 -62.52 1.66 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.257 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.46 165.28 36.08 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 119.617 -1.278 . . . . 0.0 113.548 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 p -128.4 103.39 7.12 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 122.73 0.412 . . . . 0.0 110.259 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.81 158.29 15.96 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 120.905 0.383 . . . . 0.0 111.324 -177.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.5 mt -104.55 117.13 33.38 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.8 mm -96.24 131.0 44.12 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.07 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -82.91 -69.0 0.66 Allowed 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -92.44 107.84 19.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.782 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.553 HD21 HD13 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -89.35 111.62 22.52 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -178.285 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -142.49 109.33 5.46 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.272 0.558 . . . . 0.0 111.769 -179.1 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.71 -144.61 30.19 Favored Glycine 0 C--N 1.331 0.259 0 CA-C-N 115.215 -0.902 . . . . 0.0 113.463 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.4 t -97.17 9.24 42.71 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.095 0.474 . . . . 0.0 110.243 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -68.93 -39.27 79.7 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.08 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.0 m -62.5 -44.55 96.1 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.4 p -68.52 -42.8 78.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.441 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -63.92 -35.66 81.4 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.969 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.587 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 18.4 t70 -59.97 -60.06 4.43 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.185 177.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.57 84.76 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.083 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.9 t -58.49 -60.82 3.2 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.403 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.27 86.44 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -176.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 44.4 mmtm -61.32 -52.05 66.31 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.252 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 48.1 mtm -72.93 -38.74 66.72 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.465 -0.494 . . . . 0.0 112.117 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.441 HH12 ' HG3' ' A' ' 100' ' ' GLU . 64.0 ttt180 -57.01 -46.62 82.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.796 0.332 . . . . 0.0 110.508 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.92 -47.85 56.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.54 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -57.27 -38.85 74.53 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.637 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.464 -178.745 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.493 HG23 ' HB1' ' A' ' 24' ' ' ALA . 32.5 m . . . . . 0 CA--C 1.541 0.605 0 CA-C-O 120.45 0.167 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.35 144.48 91.2 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.091 2.528 . . . . 0.0 112.974 -178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.1 m -84.01 135.74 34.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.107 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.469 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -129.31 128.8 66.92 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.763 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.474 HD12 ' H ' ' A' ' 65' ' ' ILE . 4.3 mp -75.78 109.42 9.34 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.587 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.99 99.17 11.95 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.296 -178.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.428 ' HB3' ' HB2' ' A' ' 74' ' ' LYS . 22.8 t -112.55 116.14 29.75 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 121.382 0.611 . . . . 0.0 110.052 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.454 HG21 HD23 ' A' ' 137' ' ' LEU . 2.3 p -123.36 134.31 66.66 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.529 -177.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.7 p -145.14 161.81 38.58 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.38 -1.66 13.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.079 0.466 . . . . 0.0 110.693 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -105.25 -9.09 17.89 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.618 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 154.03 171.11 20.72 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.234 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.5 m -124.47 136.52 60.29 Favored 'Isoleucine or valine' 0 C--O 1.248 0.999 0 CA-C-O 121.295 0.569 . . . . 0.0 111.591 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 67' ' ' SER . 73.9 mmtt -122.93 122.54 38.82 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.062 -178.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.469 ' HB3' HD11 ' A' ' 64' ' ' ILE . 22.5 m-85 -123.92 98.86 5.99 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.3 mp -117.46 144.65 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.976 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.707 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 7.8 t70 -74.76 143.23 44.15 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.554 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.42 -19.87 16.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.913 0.387 . . . . 0.0 110.684 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -63.73 -50.7 68.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.059 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -139.1 23.98 2.56 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.707 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 64.1 pttt 52.87 32.44 12.46 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.363 1.065 . . . . 0.0 112.236 178.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -65.47 123.64 20.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.242 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.8 mt -72.83 101.11 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.9 mt -81.52 -65.34 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.623 -176.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.45 141.22 10.42 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.41 -0.516 . . . . 0.0 112.235 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -140.38 121.25 14.49 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -147.31 171.95 14.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.316 0.579 . . . . 0.0 112.184 -175.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -66.19 145.3 55.94 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.869 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.4 tt -63.25 -31.17 51.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.168 0.509 . . . . 0.0 110.62 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -68.86 -8.58 45.16 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.384 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -16.24 57.72 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.064 0.459 . . . . 0.0 109.847 178.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.5 mt -82.32 138.72 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.867 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.5 m -92.6 -42.79 9.47 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.522 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.7 t -164.47 170.47 15.89 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.814 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.28 121.4 16.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.211 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.58 179.45 5.93 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.435 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -148.65 173.92 12.7 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.593 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 11.1 t70 -70.94 131.36 87.44 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 31.6 Cg_exo -58.94 -27.13 83.77 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 123.074 2.516 . . . . 0.0 114.199 -176.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.441 ' HG3' HH12 ' A' ' 48' ' ' ARG . 7.9 pt-20 -115.6 -34.0 5.02 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.371 -0.532 . . . . 0.0 112.081 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.593 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 21.0 t70 -102.13 96.19 6.83 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-O 121.22 0.533 . . . . 0.0 109.959 179.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -75.05 12.34 0.91 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.532 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.403 ' HB2' HG22 ' A' ' 127' ' ' VAL . 7.4 t -104.71 12.06 33.28 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 m -130.14 123.06 29.45 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.826 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.47 ' HB2' HD11 ' A' ' 134' ' ' ILE . 44.4 p90 -121.79 145.96 47.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.005 0.431 . . . . 0.0 110.826 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 121' ' ' VAL . . . -138.74 111.97 8.03 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.724 -178.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -103.86 144.31 31.67 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 120.961 0.41 . . . . 0.0 110.225 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.553 HD13 HD21 ' A' ' 34' ' ' LEU . 61.1 mt -106.1 125.3 61.71 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.191 -178.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.9 p -114.17 149.49 35.62 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 123.676 0.61 . . . . 0.0 110.569 178.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -107.11 99.34 8.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.25 0.548 . . . . 0.0 110.815 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.536 ' OD2' ' HB2' ' A' ' 113' ' ' LYS . 24.2 t70 -100.81 97.67 8.26 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.94 -178.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -60.23 -19.51 54.85 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.73 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.536 ' HB2' ' OD2' ' A' ' 111' ' ' ASP . 1.9 mtpm? -66.96 -36.4 82.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.547 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.2 t -98.09 -12.07 22.22 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.263 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 63.04 24.17 14.37 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.757 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -144.12 155.93 44.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.667 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -84.28 130.48 34.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.475 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -93.78 125.2 38.26 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.721 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 54.0 t -104.52 96.75 6.81 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -91.92 103.99 16.46 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 2.4 p -110.79 119.55 59.72 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.578 -178.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -126.34 156.93 39.68 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.82 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.45 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 40.2 p -102.93 164.47 11.6 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.409 ' CB ' ' HB2' ' A' ' 130' ' ' ALA . . . -121.46 160.02 25.04 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 120.8 0.333 . . . . 0.0 110.505 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -87.52 -11.81 47.72 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.698 178.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -144.03 133.26 23.07 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.358 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.403 HG22 ' HB2' ' A' ' 103' ' ' SER . 57.3 t -61.62 -50.56 79.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.645 -178.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.58 -37.43 78.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.554 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.413 HD21 ' CB ' ' A' ' 21' ' ' TYR . 6.4 tt -60.12 -50.93 71.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.053 177.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.409 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . . . -61.41 -44.22 97.51 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.839 0.352 . . . . 0.0 110.959 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.23 76.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.395 178.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.59 -39.63 88.51 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.613 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 70.0 mt -62.12 -47.17 94.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.098 177.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.47 HD11 ' HB2' ' A' ' 105' ' ' PHE . 40.5 mm -60.35 -43.07 92.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 121.136 0.493 . . . . 0.0 110.414 177.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.77 -50.66 72.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.716 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 56.1 m -60.16 -50.64 72.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.284 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.454 HD23 HG21 ' A' ' 68' ' ' VAL . 69.0 mt -54.91 -47.81 73.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.656 0.265 . . . . 0.0 111.01 179.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.465 ' O ' ' HB2' ' A' ' 142' ' ' GLU . . . -60.05 -53.28 47.04 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.315 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -60.88 -49.39 77.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 111.257 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.7 93.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.897 -177.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -71.13 -32.11 68.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.794 0.331 . . . . 0.0 110.865 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' ' 138' ' ' GLY . 2.5 tp10 -71.72 -45.34 62.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.623 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.63 -22.6 25.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 121.047 0.451 . . . . 0.0 110.762 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 121.209 0.528 . . . . 0.0 110.209 177.484 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 39.6 p . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.74 0.305 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.7 p -148.14 158.71 44.23 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 120.76 0.314 . . . . 0.0 111.084 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -121.18 105.27 10.43 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 132' ' ' GLU . 49.1 m-85 -118.23 133.22 56.08 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 120.767 0.318 . . . . 0.0 111.091 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -79.67 111.5 16.03 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 121.145 0.498 . . . . 0.0 110.931 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.24 164.97 11.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.478 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.458 ' HB3' ' OG1' ' A' ' 123' ' ' THR . . . -99.89 126.13 45.98 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.483 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 5.4 t80 -72.37 100.74 2.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -177.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.0 tp -84.29 -57.4 3.18 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.56 145.13 6.18 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 119.257 -1.449 . . . . 0.0 113.894 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -106.23 108.73 20.39 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 175.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.7 tpp -110.79 139.51 46.02 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.028 0.442 . . . . 0.0 111.737 -174.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -92.19 117.19 29.63 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.748 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mm -106.73 164.31 4.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -80.34 -141.48 0.04 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -77.67 75.86 4.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.426 0.632 . . . . 0.0 111.004 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.5 ' HB3' ' OG ' ' A' ' 39' ' ' SER . 1.6 mm? -107.83 114.63 28.72 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.88 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -117.64 29.87 7.6 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.102 -174.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -146.01 -179.75 22.44 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.735 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.0 p -75.72 -3.28 33.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.226 0.536 . . . . 0.0 111.171 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.28 -38.63 74.23 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.5 ' OG ' ' HB3' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -65.8 -48.16 72.7 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.641 -179.151 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.444 HG23 HD11 ' A' ' 108' ' ' ILE . 15.2 p -61.52 -45.98 91.9 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.8 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -64.48 -43.03 95.47 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.347 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.647 ' OD2' ' HE2' ' A' ' 46' ' ' LYS . 31.4 t70 -64.0 -57.04 10.88 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.24 -177.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.67 -51.84 68.07 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.38 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.5 t -57.94 -42.35 84.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.494 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.34 95.01 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.877 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.647 ' HE2' ' OD2' ' A' ' 42' ' ' ASP . 68.7 mttm -56.88 -60.53 3.43 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.6 178.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -64.87 -39.44 93.55 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.986 -178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.2 ttm-85 -56.16 -40.78 74.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.801 0.334 . . . . 0.0 111.138 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.81 -27.29 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -93.47 -4.52 51.05 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.9 p . . . . . 0 N--CA 1.47 0.564 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.572 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.401 ' CG2' ' HB1' ' A' ' 24' ' ' ALA . 27.8 m . . . . . 0 C--O 1.244 0.766 0 CA-C-O 120.424 0.154 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -53.46 129.56 34.33 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.571 2.18 . . . . 0.0 111.64 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.2 m -82.9 123.89 29.82 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -109.1 121.72 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.114 -179.002 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 54.8 mt -75.88 105.8 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.285 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.84 91.51 3.54 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.836 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.51 ' HB2' ' HG2' ' A' ' 74' ' ' LYS . 70.2 m -99.51 96.65 7.82 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-O 121.678 0.752 . . . . 0.0 111.133 -177.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.6 p -98.56 124.38 51.68 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.9 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.6 t -129.32 171.93 12.0 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.227 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.34 104.97 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.072 -177.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.7 mttp 69.9 0.9 3.23 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.952 0.901 . . . . 0.0 112.809 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -143.14 117.68 1.14 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.162 -1.018 . . . . 0.0 112.359 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.406 HG22 HG23 ' A' ' 68' ' ' VAL . 45.3 t -113.91 131.49 65.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-O 121.099 0.476 . . . . 0.0 110.487 -179.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.51 ' HG2' ' HB2' ' A' ' 67' ' ' SER . 0.2 OUTLIER -126.41 135.34 51.29 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.558 0.694 . . . . 0.0 111.085 -179.249 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.632 ' HB3' HD11 ' A' ' 64' ' ' ILE . 12.7 m-85 -110.82 117.53 33.66 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.551 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.2 mt -124.37 154.13 31.36 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.934 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.427 -175.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.651 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 27.5 t70 -80.47 150.71 29.6 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.02 -43.44 13.13 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.8 m -77.87 -49.84 13.44 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -175.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -91.3 -17.66 25.58 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 121.023 0.44 . . . . 0.0 110.316 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 58.2 mttm 61.47 23.57 13.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.055 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -74.71 138.81 43.02 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.546 -1.207 . . . . 0.0 109.351 178.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.464 HD11 ' HG3' ' A' ' 86' ' ' GLU . 9.7 tp -72.7 128.76 35.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.857 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 42.3 mm -85.65 -55.24 6.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -175.34 151.89 1.31 Allowed 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.375 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.464 ' HG3' HD11 ' A' ' 83' ' ' ILE . 3.6 mp0 -128.53 133.38 48.4 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -147.78 164.65 32.96 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.862 0.363 . . . . 0.0 110.67 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -88.16 165.27 15.21 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.052 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.3 mm -59.75 -30.4 44.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.02 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.444 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 1.4 mmp_? -63.41 -18.75 64.04 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.504 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 109' ' ' THR . 19.8 m120 -84.9 -25.83 27.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.782 0.325 . . . . 0.0 110.501 178.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 54.2 mt -89.39 107.19 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.2 t -102.04 -34.09 9.46 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.484 -177.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 33.6 m -127.69 110.45 12.67 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.967 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.71 97.67 7.36 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.0 -176.62 3.31 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.874 0.369 . . . . 0.0 110.551 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.521 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 5.1 pm0 -134.19 172.93 12.17 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.122 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.556 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 10.4 t70 -63.52 139.33 97.58 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.628 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -56.53 -39.52 90.73 Favored 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 123.434 2.756 . . . . 0.0 114.167 -178.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -105.74 -29.73 9.88 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -175.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.556 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 37.4 t70 -113.92 124.09 51.35 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.12 0.486 . . . . 0.0 111.715 -177.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -84.49 -1.31 55.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.934 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.7 t -96.89 13.61 28.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.32 0.581 . . . . 0.0 110.092 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.422 ' HB ' ' HB2' ' A' ' 98' ' ' ASP . 28.5 m -132.93 131.58 41.02 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.586 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.521 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 39.8 p90 -123.63 149.91 44.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.983 0.42 . . . . 0.0 111.061 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.75 125.99 16.51 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.067 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 41.8 p90 -120.12 141.71 49.57 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 121.038 0.447 . . . . 0.0 111.112 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.444 HD11 HG23 ' A' ' 40' ' ' THR . 31.5 mt -105.94 122.42 59.52 Favored 'Isoleucine or valine' 0 C--O 1.255 1.37 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.869 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 91' ' ' ASN . 13.4 p -111.12 130.0 55.76 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.151 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.54 112.25 24.07 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.159 0.504 . . . . 0.0 111.186 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -103.8 108.42 19.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.245 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.6 pp -68.76 -1.3 6.75 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -98.31 -18.99 18.05 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.749 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.463 ' O ' ' HB3' ' A' ' 115' ' ' ASN . 39.9 t -106.42 -28.83 10.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.463 ' HB3' ' O ' ' A' ' 114' ' ' SER . 34.7 t-20 77.39 -33.25 0.19 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -176.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.457 ' H ' ' C ' ' A' ' 114' ' ' SER . 54.2 m-70 -79.67 138.96 37.52 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.521 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -89.7 120.57 31.08 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.096 0.474 . . . . 0.0 110.609 -178.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -76.37 115.15 15.85 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.179 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 49.7 t -107.95 109.52 21.03 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 60.6 m-70 -105.27 116.08 31.34 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -178.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.18 126.09 67.42 Favored 'Isoleucine or valine' 0 C--O 1.25 1.096 0 CA-C-O 121.207 0.527 . . . . 0.0 110.33 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 24.8 m-85 -128.92 143.3 50.85 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.79 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.458 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 41.4 p -98.12 137.13 37.35 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.149 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -94.44 151.86 19.05 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -82.55 -1.73 51.52 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.471 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.441 ' HB3' ' HB2' ' A' ' 129' ' ' LEU . 12.7 t70 -159.83 147.36 16.76 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.905 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.98 -40.57 89.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.819 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.474 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 57.7 t30 -65.39 -36.85 85.21 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.441 ' HB2' ' HB3' ' A' ' 126' ' ' ASP . 2.2 tm? -59.95 -46.55 89.03 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.138 178.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.04 99.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.564 177.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.3 91.7 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.593 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.534 ' HB3' ' CE2' ' A' ' 21' ' ' TYR . 56.3 mm-40 -57.34 -49.85 74.84 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.596 177.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.0 mt -62.46 -47.41 93.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 21.0 mm -57.85 -46.93 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 120.834 0.349 . . . . 0.0 110.451 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.5 tt -59.53 -53.22 60.61 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.012 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 8.8 m -61.42 -46.5 89.88 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.549 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.2 -45.37 93.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.917 0.389 . . . . 0.0 110.78 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -61.99 -48.91 80.29 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.433 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.63 -39.1 93.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.549 0.214 . . . . 0.0 111.38 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.36 99.26 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.845 0.355 . . . . 0.0 110.58 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -69.24 -40.31 77.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.636 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -63.17 -55.61 23.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.786 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.99 -29.49 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.781 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.144 0 CA-C-O 120.896 0.379 . . . . 0.0 111.297 -179.79 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.0 p . . . . . 0 N--CA 1.448 -0.569 0 CA-C-O 120.735 0.303 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 21' ' ' TYR . 87.3 m -109.18 109.29 20.21 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.325 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -104.38 106.05 16.4 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.152 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 19' ' ' CYS . 39.0 m-85 -129.89 178.38 6.56 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.619 0.247 . . . . 0.0 110.779 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -110.8 128.13 55.64 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.99 162.83 22.63 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.53 ' HB3' ' OG1' ' A' ' 123' ' ' THR . . . -102.32 129.14 48.67 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.435 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 2.9 t80 -73.6 95.09 2.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -176.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 tp -81.88 -57.75 3.29 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.356 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.56 163.66 30.23 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 118.933 -1.603 . . . . 0.0 114.023 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.7 p -118.51 102.84 9.21 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 176.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.5 tpp -98.71 134.33 41.78 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.63 -174.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.52 HD21 ' CG ' ' A' ' 116' ' ' HIS . 6.0 tt -90.68 121.18 32.35 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.886 -178.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' A' ' 39' ' ' SER . 17.0 mm -114.46 127.65 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.894 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -84.53 -40.22 17.87 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.888 0.375 . . . . 0.0 110.42 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -119.2 112.89 20.06 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.372 0.606 . . . . 0.0 110.794 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 117' ' ' HIS . 3.2 mm? -86.2 99.87 11.84 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.869 -177.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -94.68 81.4 3.85 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.16 -136.21 49.82 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.369 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.2 p -95.49 -7.69 37.39 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.156 0.503 . . . . 0.0 109.833 178.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -56.63 -39.14 73.13 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.361 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.423 ' HB3' HG21 ' A' ' 31' ' ' ILE . 26.1 m -62.41 -48.36 80.04 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-O 120.887 0.375 . . . . 0.0 111.11 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.3 p -63.69 -37.24 86.62 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.234 0.54 . . . . 0.0 110.397 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -74.74 -27.92 60.56 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.878 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.62 -52.41 60.97 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.04 95.02 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.54 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.559 ' SG ' ' HB2' ' A' ' 98' ' ' ASP . 42.2 t -59.15 -61.01 2.96 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.49 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.6 -40.05 74.64 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 120.666 0.27 . . . . 0.0 111.107 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -55.37 -55.37 32.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.719 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 61.6 mtm -75.94 -28.75 58.09 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -64.06 -45.21 89.78 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.901 0.382 . . . . 0.0 109.982 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.06 63.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -91.02 -0.71 57.8 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.0 t . . . . . 0 C--O 1.234 0.26 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.615 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.524 ' HB ' ' HD2' ' A' ' 62' ' ' PRO . 3.9 m . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.524 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 6.4 Cg_endo -49.48 129.61 23.49 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 123.144 2.563 . . . . 0.0 113.29 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.1 m -83.99 128.33 34.47 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.28 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.544 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -119.12 131.88 70.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.642 -179.547 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 53.5 mt -77.56 109.76 12.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 CA-C-O 121.249 0.547 . . . . 0.0 109.767 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.93 97.13 10.77 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.525 -177.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.416 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . 34.4 m -104.35 104.93 14.89 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.395 0.616 . . . . 0.0 110.464 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' A' ' 19' ' ' CYS . 2.4 p -109.41 120.61 60.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.197 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 m -121.95 153.29 38.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.11 -13.34 47.05 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -119.15 20.88 12.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.855 0.36 . . . . 0.0 110.895 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 146.48 160.56 8.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 119.933 -1.127 . . . . 0.0 112.739 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.408 HG11 HD11 ' A' ' 92' ' ' ILE . 18.4 m -120.25 142.39 36.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-O 121.242 0.544 . . . . 0.0 111.453 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' HB2' ' HB2' ' A' ' 67' ' ' SER . 18.9 mmmt -128.01 120.74 28.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.096 -177.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.544 ' HB3' HD11 ' A' ' 64' ' ' ILE . 12.4 m-85 -114.92 111.23 20.85 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.4 ' O ' HG12 ' A' ' 64' ' ' ILE . 3.3 mp -119.71 145.09 26.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.735 -177.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.597 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 8.0 t70 -75.7 141.18 42.76 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.265 177.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.36 12.19 37.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.777 0.322 . . . . 0.0 111.809 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 m -98.98 -58.56 1.91 Allowed 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.308 0.575 . . . . 0.0 110.389 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -124.01 16.24 9.26 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.014 -178.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.597 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 11.3 ptmm? 53.56 30.08 10.18 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.616 1.167 . . . . 0.0 111.983 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -71.01 132.83 45.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.397 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.3 mm -68.85 111.55 3.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-O 120.896 0.379 . . . . 0.0 110.268 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.49 ' HB ' ' O ' ' A' ' 75' ' ' PHE . 47.7 mm -67.83 -63.31 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -175.22 141.09 0.53 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.607 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.43 140.11 47.44 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 173.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -140.6 152.38 45.42 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.296 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.41 153.01 44.22 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 174.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.0 tp -59.85 -40.17 81.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.771 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.8 mtt-85 -71.54 -3.53 21.78 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -72.61 -28.03 62.52 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.408 HD11 HG11 ' A' ' 73' ' ' VAL . 27.2 mt -79.94 130.47 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t -93.97 -40.48 10.1 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.746 -177.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.1 t -163.66 170.25 17.37 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.975 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.87 130.98 34.69 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.725 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.59 -178.46 5.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.41 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -152.92 165.29 35.95 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.825 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.675 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 14.1 t70 -64.24 141.78 98.19 Favored Pre-proline 0 N--CA 1.469 0.499 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -178.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 23.6 Cg_exo -63.95 -37.17 45.34 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.811 2.34 . . . . 0.0 113.453 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -108.11 -34.7 6.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -176.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.675 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 12.7 t70 -100.58 104.18 15.52 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.125 0.488 . . . . 0.0 110.243 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.03 0.7 34.62 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.744 -176.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.0 p -98.89 17.36 19.73 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.026 0.441 . . . . 0.0 110.591 177.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.0 m -132.48 118.27 19.09 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 122' ' ' PHE . 40.8 p90 -116.98 147.07 42.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.974 -178.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.9 111.34 7.53 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -107.5 143.44 35.89 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.049 0.452 . . . . 0.0 110.735 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 57.3 mt -98.1 125.34 51.39 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.205 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 64.0 p -119.35 164.95 14.93 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -110.98 135.91 50.78 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.019 178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -109.92 97.18 6.75 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.534 HD23 ' H ' ' A' ' 112' ' ' LEU . 2.5 pt? -61.92 -9.41 6.9 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -175.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.413 ' HD2' ' HG ' ' A' ' 112' ' ' LEU . 2.1 mptm? -92.15 -32.03 15.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.123 0.487 . . . . 0.0 110.448 177.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.4 t -91.57 -22.78 20.15 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 19.7 m120 66.15 28.23 10.22 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.798 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.52 ' CG ' HD21 ' A' ' 30' ' ' LEU . 36.0 m80 -129.42 170.08 14.12 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.697 -178.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.461 ' HB2' HD21 ' A' ' 34' ' ' LEU . 12.3 m170 -103.75 124.29 48.62 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.7 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -104.47 119.2 38.42 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.806 -178.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 23.0 p -91.35 108.13 19.68 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.435 ' HB3' ' CE2' ' A' ' 122' ' ' PHE . 66.0 m80 -89.92 104.86 17.39 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.99 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.6 p -104.18 126.83 58.81 Favored 'Isoleucine or valine' 0 C--O 1.25 1.086 0 CA-C-O 121.543 0.687 . . . . 0.0 110.87 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 98.9 m-85 -127.5 145.88 50.69 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.199 -178.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.53 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 5.1 p -99.09 130.97 45.45 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.36 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.52 144.67 26.39 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -81.05 2.17 28.28 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.357 0.599 . . . . 0.0 109.882 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.473 ' HB3' ' HB2' ' A' ' 129' ' ' LEU . 17.7 t70 -151.99 131.46 12.98 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.894 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.24 -45.39 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-O 121.026 0.441 . . . . 0.0 111.187 -178.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.615 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 3.6 t30 -61.3 -44.42 97.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.019 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.516 HD21 ' CG ' ' A' ' 21' ' ' TYR . 3.2 tm? -54.36 -45.3 72.74 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.32 179.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.22 95.51 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.456 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.11 -38.99 88.27 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.942 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 128' ' ' ASN . 7.1 mm-40 -60.3 -48.83 80.06 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.309 178.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.47 -46.0 89.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.914 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.445 HD11 ' HB2' ' A' ' 105' ' ' PHE . 37.2 mm -60.34 -43.99 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.056 0.455 . . . . 0.0 110.215 177.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.17 -43.76 98.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.025 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 27.7 m -61.66 -49.81 75.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.714 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.76 -44.77 96.32 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.062 0.458 . . . . 0.0 110.39 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.01 -45.24 94.03 Favored Glycine 0 N--CA 1.443 -0.833 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.14 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . 0.445 ' HA ' ' HB2' ' A' ' 142' ' ' GLU . 86.2 mm-40 -70.02 -28.61 65.63 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 120.39 0.138 . . . . 0.0 111.255 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.93 97.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.946 0.403 . . . . 0.0 109.967 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -72.15 -41.92 66.55 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.473 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 139' ' ' GLN . 9.0 mm-40 -58.37 -48.21 81.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.894 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.7 p -68.97 -10.25 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-O 120.989 0.424 . . . . 0.0 111.38 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.425 0 CA-C-O 121.17 0.509 . . . . 0.0 110.125 177.591 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 N--CA 1.44 -0.95 0 CA-C-O 121.157 0.503 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.411 ' SG ' HG21 ' A' ' 136' ' ' THR . 31.0 p -158.63 152.32 23.31 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.296 175.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -137.6 115.86 11.81 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.102 -177.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -133.17 175.97 8.92 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.716 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.441 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -111.14 110.68 21.31 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.221 0.534 . . . . 0.0 110.359 177.437 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.89 171.03 7.63 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.252 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.03 130.43 55.48 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.27 97.18 1.2 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.032 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.434 HD13 ' OG1' ' A' ' 123' ' ' THR . 14.2 tp -80.2 -60.07 2.47 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.322 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.422 ' HA3' ' SD ' ' A' ' 47' ' ' MET . . . -170.97 156.21 26.14 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 119.56 -1.305 . . . . 0.0 113.621 178.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t -123.66 105.51 9.77 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -113.58 138.63 49.9 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.028 0.442 . . . . 0.0 111.769 -175.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 116' ' ' HIS . 51.2 tp -108.47 127.55 54.01 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.564 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -108.82 136.28 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -54.68 -67.44 0.27 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.577 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -142.33 126.67 17.65 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.551 HD13 ' H ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -157.34 153.31 27.15 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -175.515 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.551 ' H ' HD13 ' A' ' 34' ' ' LEU . 37.7 ptt180 -134.47 145.94 49.3 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.8 0.333 . . . . 0.0 110.684 177.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.69 -177.13 52.45 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.967 -0.635 . . . . 0.0 113.25 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.435 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 7.9 p -75.29 8.33 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.286 0.634 . . . . 0.0 111.633 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.527 ' HB3' HD11 ' A' ' 34' ' ' LEU . 47.4 tp10 -61.45 -36.49 80.52 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.15 178.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 m -62.93 -44.95 94.69 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-O 121.063 0.459 . . . . 0.0 110.83 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.562 ' HA ' ' SG ' ' A' ' 119' ' ' CYS . 44.9 p -67.68 -52.57 36.31 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.512 -176.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 37' ' ' THR . 19.8 pt20 -63.54 -37.55 87.72 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -64.29 -62.01 1.88 Allowed 'General case' 0 C--O 1.242 0.7 0 CA-C-O 120.919 0.39 . . . . 0.0 110.835 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.17 98.22 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.012 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 98' ' ' ASP . 42.8 t -63.71 -50.72 68.06 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.217 -178.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.79 -43.46 85.63 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.742 0.306 . . . . 0.0 111.017 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -57.15 -53.82 53.8 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.965 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.422 ' SD ' ' HA3' ' A' ' 27' ' ' GLY . 66.0 mtm -72.98 -28.29 62.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -177.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -61.87 -50.93 70.25 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.82 -38.19 90.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.755 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -69.47 -29.33 66.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.666 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.1 t . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.043 -179.025 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 110.213 -0.292 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.3 153.98 24.58 Favored 'Trans proline' 0 C--O 1.239 0.534 0 C-N-CA 122.448 2.098 . . . . 0.0 112.256 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.8 m -86.87 136.57 32.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.662 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.455 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -126.39 129.14 71.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.833 -179.291 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.437 HD12 ' H ' ' A' ' 65' ' ' ILE . 4.3 mp -73.78 112.57 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.63 98.3 11.59 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.136 -179.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -109.41 108.75 19.4 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-O 121.271 0.558 . . . . 0.0 110.002 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.464 HG21 HD23 ' A' ' 137' ' ' LEU . 2.2 p -120.0 126.19 75.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.574 -177.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.8 m -130.62 157.74 41.93 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.562 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.36 -11.28 30.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.807 0.337 . . . . 0.0 111.792 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -107.02 -6.06 17.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.485 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 164.36 161.55 13.66 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.215 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.482 HG11 HD11 ' A' ' 92' ' ' ILE . 8.7 p -132.83 131.78 59.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-O 120.978 0.418 . . . . 0.0 110.302 -178.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HG3' ' HG3' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -122.53 141.23 51.89 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.119 0.485 . . . . 0.0 111.233 -177.608 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.455 ' HB3' HD11 ' A' ' 64' ' ' ILE . 10.0 m-85 -126.35 105.73 9.0 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.163 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.442 ' O ' HG12 ' A' ' 64' ' ' ILE . 3.3 mp -122.24 140.19 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.699 -178.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.651 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -74.96 147.05 41.19 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.828 178.828 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.38 -18.0 24.96 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.705 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -67.06 -65.03 0.73 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.07 -178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -118.48 3.92 11.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 59.8 mttp 68.93 33.53 3.49 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.971 -177.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -66.92 130.35 42.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.196 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.8 tp -81.17 105.33 10.95 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 121.281 0.562 . . . . 0.0 110.581 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.2 mp -67.25 -51.25 55.12 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.4 ' HB1' ' NE2' ' A' ' 87' ' ' HIS . . . -170.66 151.79 3.63 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.145 0.498 . . . . 0.0 112.082 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.421 ' HG3' ' HG3' ' A' ' 74' ' ' LYS . 34.4 tt0 -134.89 115.59 13.78 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.4 ' NE2' ' HB1' ' A' ' 85' ' ' ALA . 84.6 m-70 -137.6 166.43 23.94 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.915 0.388 . . . . 0.0 110.5 -177.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.492 ' HB3' ' OD1' ' A' ' 91' ' ' ASN . 43.4 tt0 -81.13 149.51 29.12 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 173.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.547 HD13 ' O ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -58.63 -32.43 46.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-O 121.222 0.534 . . . . 0.0 110.139 -177.783 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.458 ' H ' ' HG2' ' A' ' 88' ' ' GLU . 35.1 ttm105 -62.59 -21.76 65.86 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.456 178.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.492 ' OD1' ' HB3' ' A' ' 88' ' ' GLU . 16.1 m120 -73.96 -12.67 60.71 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.715 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.482 HD11 HG11 ' A' ' 73' ' ' VAL . 29.3 mt -85.39 102.03 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.3 t -69.73 -34.1 73.39 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.652 -175.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.7 t -153.37 135.93 15.15 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.113 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.07 118.03 31.74 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.89 -174.02 3.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 21.1 pt20 -147.18 173.79 12.2 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.644 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 15.4 t70 -69.08 138.36 89.81 Favored Pre-proline 0 C--N 1.326 -0.439 0 C-N-CA 121.001 -0.279 . . . . 0.0 110.821 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 31.1 Cg_exo -60.74 -30.02 89.47 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 123.065 2.51 . . . . 0.0 114.372 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -113.66 -33.87 5.7 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -176.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.644 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 16.9 t70 -110.0 109.99 20.76 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.243 0.544 . . . . 0.0 110.651 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.37 15.79 4.16 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.057 -176.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t -99.75 1.49 43.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.983 0.421 . . . . 0.0 110.109 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.487 HG23 ' HB2' ' A' ' 98' ' ' ASP . 8.8 t -132.73 132.47 42.34 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.34 0.59 . . . . 0.0 110.588 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.419 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 42.2 p90 -114.16 149.86 35.04 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.913 -177.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 121' ' ' VAL . . . -138.09 123.76 19.81 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.859 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 55.0 p90 -121.11 143.19 49.22 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 121.151 0.501 . . . . 0.0 111.156 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.459 HG21 ' CE1' ' A' ' 117' ' ' HIS . 30.7 mt -98.05 124.63 51.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.96 152.6 27.88 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.879 -173.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -137.15 119.09 15.27 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.464 ' OD1' ' HD3' ' A' ' 113' ' ' LYS . 7.2 t70 -149.96 175.65 11.49 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -175.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -23.51 63.85 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.991 0.424 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.527 ' H ' ' HD3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -109.86 18.36 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.718 0.77 . . . . 0.0 109.462 174.714 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.7 m -149.68 54.69 0.95 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.912 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -68.43 -27.28 66.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.879 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.506 ' HB2' HD11 ' A' ' 30' ' ' LEU . 79.6 m-70 -90.9 174.6 7.35 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.702 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.459 ' CE1' HG21 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -74.17 92.15 2.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.905 0.383 . . . . 0.0 111.696 -176.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.425 ' CE1' HD13 ' A' ' 30' ' ' LEU . 11.2 m-85 -87.38 118.56 26.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.79 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.562 ' SG ' ' HA ' ' A' ' 40' ' ' THR . 45.1 t -103.38 105.12 15.31 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 50.4 m80 -104.92 112.6 25.78 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.649 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.409 ' HA ' ' HA ' ' A' ' 106' ' ' ALA . 3.8 p -116.37 127.46 73.97 Favored 'Isoleucine or valine' 0 C--O 1.248 1.008 0 CA-C-O 121.345 0.593 . . . . 0.0 111.3 -178.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 27.5 m-85 -125.71 135.07 51.69 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.823 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.434 ' OG1' HD13 ' A' ' 26' ' ' LEU . 86.1 m -95.76 121.52 37.57 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.617 -177.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' A' ' 130' ' ' ALA . . . -87.51 148.03 25.1 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -72.06 -33.31 67.85 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.479 ' HB2' ' HB2' ' A' ' 129' ' ' LEU . 16.4 m-20 -113.99 134.82 54.59 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.261 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.48 -37.52 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.337 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -70.55 -31.02 67.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.123 0.487 . . . . 0.0 109.856 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 126' ' ' ASP . 7.2 tt -67.65 -41.85 83.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.056 177.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.425 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . . . -61.36 -45.12 95.72 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.033 177.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.63 -38.69 85.61 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.795 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.16 -46.53 88.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.187 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 63.0 mt -60.35 -44.21 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.634 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.82 -42.25 91.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 110.455 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.3 tt -65.25 -44.46 88.06 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.411 HG21 ' SG ' ' A' ' 19' ' ' CYS . 25.6 m -61.09 -51.17 70.28 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.471 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.464 HD23 HG21 ' A' ' 68' ' ' VAL . 92.3 mt -55.98 -48.87 75.05 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.925 0.393 . . . . 0.0 110.681 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.78 -49.14 80.79 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.847 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -68.94 -35.39 76.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.938 0.399 . . . . 0.0 111.161 -178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 143' ' ' VAL . . . -68.2 -33.37 74.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.174 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -82.37 -37.69 25.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.254 0.55 . . . . 0.0 109.999 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.13 -35.62 81.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.327 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 140' ' ' ALA . 9.9 p -67.64 -16.04 20.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-O 120.96 0.41 . . . . 0.0 111.477 -178.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.4 0 CA-C-O 121.26 0.552 . . . . 0.0 110.253 178.461 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.445 -0.681 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.8 m -98.65 98.03 9.23 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.5 97.55 11.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -97.46 173.1 7.34 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.915 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -134.37 129.43 35.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.791 0.329 . . . . 0.0 110.29 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -138.28 176.06 9.03 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.713 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -99.89 122.93 43.57 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 178.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.05 92.71 2.17 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.483 ' HB3' HG13 ' A' ' 121' ' ' VAL . 38.2 tp -66.18 -51.98 52.62 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.856 -178.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.407 ' O ' HG12 ' A' ' 121' ' ' VAL . . . 173.34 148.37 6.34 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 118.905 -1.617 . . . . 0.0 114.266 176.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 p -98.5 89.89 4.57 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 174.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.1 tpp -90.09 140.71 29.39 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.384 -173.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.44 HD13 ' CE1' ' A' ' 118' ' ' TYR . 20.6 tp -93.87 127.99 39.91 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.742 -177.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.547 HD11 ' SG ' ' A' ' 119' ' ' CYS . 27.5 mm -104.37 122.79 57.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.039 -177.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -66.75 -26.94 67.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.417 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.451 ' H ' HG22 ' A' ' 31' ' ' ILE . 9.6 pt-20 -140.48 106.37 5.17 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.196 0.522 . . . . 0.0 110.522 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.521 HD13 ' H ' ' A' ' 36' ' ' GLY . 0.6 OUTLIER -74.9 95.12 2.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.313 0.577 . . . . 0.0 109.755 -178.37 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.451 ' HD2' ' OE1' ' A' ' 33' ' ' GLU . 29.9 mtp180 -100.69 36.58 1.89 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.527 -177.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.521 ' H ' HD13 ' A' ' 34' ' ' LEU . . . 75.82 -142.47 28.77 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.468 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.6 p -70.41 -16.6 62.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.294 0.569 . . . . 0.0 110.952 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -56.92 -42.59 80.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.589 176.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.455 ' HB3' HG21 ' A' ' 31' ' ' ILE . 1.1 m -60.05 -50.42 73.78 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.292 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.8 p -63.94 -39.74 94.84 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.151 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -67.95 -40.5 83.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.449 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 46' ' ' LYS . 26.9 t70 -62.13 -49.89 74.08 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.118 0.485 . . . . 0.0 110.018 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.06 85.4 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.588 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 33.7 t -59.94 -55.2 37.08 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.904 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.02 -41.65 83.63 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.922 0.391 . . . . 0.0 110.967 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 15.4 ttmm -57.66 -59.22 5.52 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.644 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 46.5 mtm -66.4 -37.11 84.5 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.716 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.6 ttt-85 -57.71 -49.26 77.13 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.24 -42.71 96.42 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.863 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.94 -33.22 75.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.687 -179.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.688 -177.882 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.713 HG23 ' HB1' ' A' ' 24' ' ' ALA . 28.0 m . . . . . 0 N--CA 1.442 -0.832 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -53.32 139.89 63.43 Favored 'Trans proline' 0 C--O 1.239 0.552 0 C-N-CA 123.164 2.576 . . . . 0.0 113.508 -177.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.7 m -76.29 140.58 41.58 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.504 178.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.8 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -131.9 139.0 51.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.148 -177.015 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 65' ' ' ILE . 3.6 mp -86.1 111.92 21.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.305 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.3 mt -95.98 97.68 9.8 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.482 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.3 t -100.47 119.69 38.86 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-O 121.24 0.543 . . . . 0.0 110.651 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 p -117.35 131.39 70.22 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.755 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.9 p -142.39 176.78 8.74 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.544 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.62 113.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HA ' ' CG2' ' A' ' 89' ' ' ILE . 0.0 OUTLIER 51.6 21.92 1.44 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.663 1.185 . . . . 0.0 113.641 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -149.14 136.38 5.78 Favored Glycine 0 CA--C 1.512 -0.148 0 C-N-CA 120.035 -1.079 . . . . 0.0 112.741 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.7 m -138.96 137.74 42.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-O 121.217 0.532 . . . . 0.0 111.1 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.504 ' CD ' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -139.16 142.36 37.98 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.112 0.482 . . . . 0.0 110.975 178.336 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.8 ' HB3' HD11 ' A' ' 64' ' ' ILE . 18.8 m-85 -129.4 120.45 25.54 Favored 'General case' 0 C--O 1.25 1.122 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.594 -173.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.504 HD11 ' CD ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER -125.0 144.19 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.568 -179.025 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.593 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 1.2 t70 -73.18 144.71 46.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.236 176.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.74 -13.13 29.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.79 0.328 . . . . 0.0 111.871 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 m -70.62 -58.89 3.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.898 0.38 . . . . 0.0 111.069 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -126.01 7.82 7.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.625 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 61.9 tttm 64.33 55.75 1.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.679 0.752 . . . . 0.0 110.282 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.422 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 28.2 t-20 -84.8 130.22 34.7 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.443 179.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.6 mt -72.48 93.5 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 177.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.9 mt -76.09 -58.37 4.61 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.986 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.1 139.89 11.32 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.87 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -145.71 109.91 4.95 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.866 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -147.28 171.64 15.1 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 -177.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -67.08 159.66 28.32 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.422 ' CG2' ' HA ' ' A' ' 71' ' ' LYS . 12.5 tt -65.35 -19.24 25.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.582 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -63.73 -17.53 63.11 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.294 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -68.25 -26.16 65.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.04 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.0 mt -91.93 117.44 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.718 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.6 t -92.46 -25.41 18.45 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.833 -177.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 25.9 t -152.04 150.48 30.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.923 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -139.07 115.8 10.73 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.29 150.83 51.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.018 0.437 . . . . 0.0 111.059 -178.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.505 HE22 HD13 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -115.46 159.51 21.09 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 177.33 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.521 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 10.1 t70 -71.97 124.45 90.89 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.897 0.379 . . . . 0.0 111.815 -176.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 23.2 Cg_exo -65.87 -34.71 38.4 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.954 2.436 . . . . 0.0 113.745 -178.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.483 ' HG2' ' OD1' ' A' ' 98' ' ' ASP . 11.0 pt-20 -94.07 -17.57 22.71 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.848 0.356 . . . . 0.0 111.64 -176.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.521 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 8.3 t70 -133.55 107.33 7.94 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.218 0.533 . . . . 0.0 110.161 177.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.505 HD13 HE22 ' A' ' 97' ' ' GLN . 4.0 mm? -78.12 7.59 6.01 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.335 -176.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.1 t -110.88 14.07 22.14 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.021 -178.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.409 HG23 ' CB ' ' A' ' 98' ' ' ASP . 5.9 t -145.43 156.75 43.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.827 0.346 . . . . 0.0 110.633 178.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -154.82 171.61 19.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.61 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -155.32 129.7 9.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.701 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -115.71 157.75 23.82 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.162 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 63.3 mt -113.7 125.85 71.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.626 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.89 152.12 22.32 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.744 177.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.421 ' HD3' ' O ' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -103.34 93.13 4.8 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.54 0.685 . . . . 0.0 111.949 -179.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.585 ' OD2' ' HB2' ' A' ' 114' ' ' SER . 8.0 p-10 -84.93 81.98 8.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.195 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.7 tp -70.84 -5.39 30.07 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.153 0.501 . . . . 0.0 110.593 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -93.29 -8.22 42.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.18 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.585 ' HB2' ' OD2' ' A' ' 111' ' ' ASP . 45.0 m -128.0 -32.16 2.32 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.329 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 16.6 m120 74.06 15.68 3.69 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 175.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -130.1 98.19 4.67 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 176.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.473 ' HA ' ' OD1' ' A' ' 111' ' ' ASP . 34.5 m80 -63.79 130.88 45.99 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -171.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.44 ' CE1' HD13 ' A' ' 30' ' ' LEU . 83.8 m-85 -94.21 150.53 20.22 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.321 -1.309 . . . . 0.0 110.513 177.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.547 ' SG ' HD11 ' A' ' 31' ' ' ILE . 26.6 p -117.46 113.25 21.77 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 171.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -94.99 104.5 16.37 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -176.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.483 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.3 p -99.1 131.69 45.88 Favored 'Isoleucine or valine' 0 C--O 1.254 1.313 0 CA-C-O 121.3 0.571 . . . . 0.0 111.146 -178.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -132.96 133.41 43.15 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.714 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.6 t -107.76 135.44 49.17 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 130' ' ' ALA . . . -100.4 151.87 21.02 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.406 -178.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -86.01 11.67 11.09 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.473 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -156.82 135.89 11.91 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.78 -53.12 45.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.634 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -61.77 -39.64 92.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.653 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.523 ' O ' HG13 ' A' ' 133' ' ' ILE . 2.8 tm? -58.03 -48.52 79.82 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.733 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.457 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . . . -61.47 -43.96 97.94 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 178.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.98 94.12 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.786 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -60.02 -42.99 95.53 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.107 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 129' ' ' LEU . 64.4 mt -56.83 -54.37 30.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.575 178.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 40.9 mm -59.3 -45.57 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.3 tt -60.29 -45.61 92.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.803 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.2 m -65.48 -41.79 92.93 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.454 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.03 -49.01 79.12 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.253 177.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.18 -44.23 97.6 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.284 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -61.35 -50.45 72.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.911 0.386 . . . . 0.0 110.427 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.02 98.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.177 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -70.18 -25.74 63.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.619 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -76.6 -53.64 7.77 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.551 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 12.8 p -66.51 -27.68 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.412 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.7 0.286 . . . . 0.0 111.477 179.773 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 120.894 0.378 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.535 ' HD3' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -91.57 -42.66 10.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.837 177.715 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.3 mt 52.68 44.74 29.82 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.676 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.2 mt -55.92 -29.26 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.519 -176.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.91 4.21 10.98 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.167 0.508 . . . . 0.0 110.622 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -112.52 -3.68 14.35 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.391 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.8 p -145.67 159.06 43.7 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.216 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.591 ' SG ' HG13 ' A' ' 68' ' ' VAL . 30.2 p -124.58 140.96 52.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.91 0.386 . . . . 0.0 110.34 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -124.93 116.93 22.98 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.872 -177.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -132.23 166.51 21.7 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.062 0.458 . . . . 0.0 111.684 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -101.08 108.52 20.24 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.58 177.96 4.7 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.74 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -123.38 123.64 41.14 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 176.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.436 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -72.71 102.53 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.649 0.261 . . . . 0.0 110.373 -176.555 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.413 ' HA ' HG21 ' A' ' 61' ' ' VAL . 31.1 tp -78.32 -58.93 3.0 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.415 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.46 155.09 21.64 Favored Glycine 0 N--CA 1.438 -1.206 0 C-N-CA 119.031 -1.557 . . . . 0.0 113.937 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.421 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 8.7 p -110.35 95.8 5.8 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 175.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 tpp -88.25 127.53 35.46 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.021 0.439 . . . . 0.0 111.939 -174.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.425 HD23 ' CE1' ' A' ' 118' ' ' TYR . 3.1 tm? -81.86 123.69 29.04 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.586 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.8 mm -108.73 127.52 65.18 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.53 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -67.57 -60.77 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.5 127.62 53.21 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.631 HD13 ' H ' ' A' ' 36' ' ' GLY . 2.8 tm? -77.98 110.94 13.34 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.52 -176.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.458 ' HD3' ' OE2' ' A' ' 38' ' ' GLU . 30.9 mtp180 -107.2 28.33 8.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.241 0.543 . . . . 0.0 110.642 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.631 ' H ' HD13 ' A' ' 34' ' ' LEU . . . 87.88 -144.18 18.66 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.816 177.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.3 p -69.69 -12.46 61.65 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 122.613 0.365 . . . . 0.0 111.618 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.458 ' OE2' ' HD3' ' A' ' 35' ' ' ARG . 36.2 tt0 -60.35 -43.51 96.43 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -62.8 -41.64 99.37 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.058 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.9 p -70.44 -41.78 72.41 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.766 0.317 . . . . 0.0 111.217 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -65.4 -42.52 92.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.781 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.69 -49.4 76.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.548 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.6 -46.72 89.21 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.897 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 42.0 t -60.83 -60.32 3.98 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.57 -50.74 71.03 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -59.52 -51.51 69.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.222 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.442 ' HE1' ' CG1' ' A' ' 121' ' ' VAL . 20.6 ttp -70.92 -40.78 71.89 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -176.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 44' ' ' CYS . 16.6 ptm180 -63.41 -36.73 84.7 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.77 -29.88 58.93 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 121.057 0.456 . . . . 0.0 110.291 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -77.16 -20.77 55.03 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.203 0.525 . . . . 0.0 110.367 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.6 t -79.48 -11.52 59.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.406 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.32 178.93 6.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.883 0.373 . . . . 0.0 111.696 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -129.38 -123.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.4 t -86.3 10.18 15.61 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -81.51 177.61 8.84 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.399 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HB3' ' H ' ' A' ' 57' ' ' GLN . 11.6 mp0 -83.05 -157.63 0.24 Allowed 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.415 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.422 ' H ' ' HB3' ' A' ' 56' ' ' GLU . 21.4 pt20 -66.92 80.23 0.11 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.608 0.718 . . . . 0.0 111.275 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.1 ttp -94.25 25.84 3.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.972 0.891 . . . . 0.0 109.571 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' A' ' 59' ' ' LYS . 35.7 ttpt -79.75 79.51 6.25 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.506 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -133.4 118.0 17.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.527 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.74 HG23 ' HB1' ' A' ' 24' ' ' ALA . 2.8 m -131.61 164.02 45.66 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.554 -177.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 4.0 Cg_endo -46.26 137.74 13.87 Favored 'Trans proline' 0 C--N 1.366 1.498 0 C-N-CA 124.018 3.145 . . . . 0.0 113.568 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.0 m -79.74 135.22 36.46 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.969 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -134.0 133.97 55.88 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 C-N-CA 123.857 0.863 . . . . 0.0 108.887 179.363 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.8 mt -77.58 107.43 9.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-O 121.318 0.58 . . . . 0.0 110.003 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.71 103.48 15.99 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.01 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.415 ' HB3' ' HG2' ' A' ' 74' ' ' LYS . 1.9 t -111.51 116.6 31.14 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 121.28 0.562 . . . . 0.0 110.012 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.591 HG13 ' SG ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -119.75 129.03 75.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.8 -177.492 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.5 t -131.61 160.55 35.02 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.637 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.82 -11.32 60.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.139 0.495 . . . . 0.0 110.903 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -101.29 -11.07 19.75 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.706 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.443 ' HA2' ' N ' ' A' ' 89' ' ' ILE . . . 159.59 162.01 11.78 Favored Glycine 0 CA--C 1.5 -0.848 0 C-N-CA 119.746 -1.216 . . . . 0.0 112.684 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.4 HG22 HG23 ' A' ' 68' ' ' VAL . 60.3 t -119.76 133.2 67.29 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.132 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.415 ' HG2' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -127.1 137.17 52.95 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 121.493 0.663 . . . . 0.0 111.694 -178.405 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.488 ' O ' ' HB ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -114.17 115.71 27.91 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.229 -178.605 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.47 ' O ' HG12 ' A' ' 64' ' ' ILE . 4.4 mp -122.57 138.64 52.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.554 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 20.3 t70 -70.08 140.99 52.84 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.83 -20.76 28.66 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.0 m -89.34 -54.56 4.04 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 120.87 0.366 . . . . 0.0 111.593 -176.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -103.58 8.23 37.62 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 -176.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.554 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 14.0 ptmm? 49.78 27.06 2.11 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.906 0.882 . . . . 0.0 111.251 -177.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.439 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 50.8 t-20 -61.23 124.67 21.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.519 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 83' ' ' ILE . 7.3 tp -75.7 82.52 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.969 0 CA-C-O 121.913 0.863 . . . . 0.0 109.301 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.488 ' HB ' ' O ' ' A' ' 75' ' ' PHE . 67.8 mt -56.72 -58.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.07 -177.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -174.12 145.54 1.07 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -121.75 108.11 13.13 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 174.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -120.21 144.22 47.84 Favored 'General case' 0 C--N 1.308 -1.202 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.145 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -59.87 144.96 47.38 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.944 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.458 HD13 ' O ' ' A' ' 89' ' ' ILE . 0.3 OUTLIER -63.48 -24.1 35.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.451 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -67.99 -12.89 61.63 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.028 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -89.76 -14.69 34.04 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.295 0.569 . . . . 0.0 110.135 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.417 ' HA ' HG22 ' A' ' 109' ' ' THR . 25.5 mt -85.58 132.61 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.3 t -98.6 -43.47 6.83 Favored 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.665 -175.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.46 ' HB2' HG12 ' A' ' 108' ' ' ILE . 50.5 m -152.78 155.21 36.72 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.368 -178.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.11 116.17 15.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.398 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -123.1 179.1 4.8 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.613 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -145.34 170.32 16.54 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.533 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 11.2 t70 -70.08 134.84 87.33 Favored Pre-proline 0 C--N 1.319 -0.738 0 O-C-N 123.144 0.278 . . . . 0.0 110.283 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.28 -34.1 87.19 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.318 2.678 . . . . 0.0 114.044 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -114.22 -21.98 10.19 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.533 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 9.9 t70 -109.23 95.98 5.99 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -80.9 11.77 3.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.383 -177.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.5 t -107.11 8.05 29.98 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-O 121.752 0.787 . . . . 0.0 108.903 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.1 m -127.17 120.64 29.28 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.864 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 122' ' ' PHE . 36.4 p90 -118.36 141.04 48.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.949 0.404 . . . . 0.0 111.523 -177.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -137.07 116.2 12.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.275 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -116.98 151.55 36.47 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 121.042 0.449 . . . . 0.0 111.492 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.46 HG12 ' HB2' ' A' ' 94' ' ' CYS . 0.0 OUTLIER -107.52 133.94 50.76 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.95 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.935 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.417 HG22 ' HA ' ' A' ' 92' ' ' ILE . 6.0 p -118.96 165.59 13.9 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.6 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -101.42 85.79 2.85 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 173.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.54 94.75 1.73 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.723 -177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.6 mt -58.16 -36.77 73.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.297 -1.319 . . . . 0.0 113.05 -174.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -75.82 -15.25 60.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.943 0.402 . . . . 0.0 111.442 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.1 m -103.72 -19.32 14.35 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.573 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 61.47 23.24 13.53 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.62 0.724 . . . . 0.0 109.942 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -140.05 -169.48 2.75 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.707 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -127.14 123.64 37.25 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.184 179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.425 ' CE1' HD23 ' A' ' 30' ' ' LEU . 34.7 m-85 -100.81 126.74 47.41 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.705 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 90.4 m -83.28 102.75 12.16 Favored 'General case' 0 N--CA 1.433 -1.323 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 174.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -89.29 104.64 17.17 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.442 ' CG1' ' HE1' ' A' ' 47' ' ' MET . 3.3 p -112.93 128.85 69.45 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.415 -177.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 43.4 m-85 -126.67 148.39 49.84 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.446 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 66.6 p -104.86 123.51 47.83 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.39 168.72 16.32 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.239 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -102.26 11.62 37.9 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -162.6 140.43 8.35 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.425 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.9 t -64.84 -51.69 63.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.561 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -58.5 -40.07 81.8 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.961 0.41 . . . . 0.0 110.089 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.7 tt -56.53 -53.0 62.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.025 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.47 -46.76 87.02 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.22 83.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.999 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -64.03 -44.53 92.27 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.008 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.0 mt -58.43 -46.78 89.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.37 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.505 HD11 ' HB2' ' A' ' 105' ' ' PHE . 31.4 mm -55.73 -48.41 77.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-O 121.058 0.456 . . . . 0.0 110.482 177.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.74 -43.83 92.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.621 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.4 m -63.16 -41.51 99.26 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.372 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 85.8 mt -63.8 -50.29 69.53 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.016 0.436 . . . . 0.0 110.379 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.2 -46.3 94.5 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.317 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -61.76 -42.96 99.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.778 0.323 . . . . 0.0 110.61 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.43 -47.61 84.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.993 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -67.1 -36.86 82.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.595 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.67 -47.92 76.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.878 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.5 p -72.06 -26.4 25.12 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.266 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -83.17 -19.65 36.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.043 0.449 . . . . 0.0 110.589 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -65.83 -45.5 82.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.42 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 . . . . . 0 C--N 1.321 -0.658 0 CA-C-O 118.701 -0.666 . . . . 0.0 110.036 179.059 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.705 0.288 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.51 166.84 17.21 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.795 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mp -83.84 122.47 28.73 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.479 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.4 pt -66.64 -2.81 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-O 120.998 0.428 . . . . 0.0 112.055 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.83 -28.61 20.3 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -98.03 -12.97 21.33 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.498 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.5 p -123.45 139.05 54.42 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.902 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.7 t -115.71 108.52 16.47 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -92.66 104.85 17.09 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.618 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -112.79 172.34 6.99 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.394 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -116.84 112.6 21.33 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.02 177.6 4.76 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.538 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -117.44 131.13 56.8 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.443 178.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -72.86 98.4 2.44 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.388 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.4 tp -78.4 -62.19 1.76 Allowed 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.21 152.78 12.48 Favored Glycine 0 N--CA 1.439 -1.144 0 C-N-CA 118.782 -1.675 . . . . 0.0 114.14 176.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p -104.11 112.54 25.58 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 173.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.2 tpp -104.64 139.24 39.78 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -173.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -82.36 116.9 22.05 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.6 mm -96.39 114.6 33.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-O 121.103 0.477 . . . . 0.0 111.245 -177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.477 ' HA ' ' CD2' ' A' ' 116' ' ' HIS . 30.2 mtmm -90.36 -50.08 6.17 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 14.8 mp0 -93.08 97.86 10.96 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.353 178.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 34' ' ' LEU . 1.9 tm? -78.41 98.06 5.88 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 2.3 ptm85 -122.87 36.52 4.63 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.958 -178.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.59 -131.56 31.94 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.052 -0.976 . . . . 0.0 113.27 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.408 HG22 ' HB2' ' A' ' 96' ' ' ALA . 32.5 p -67.54 -12.97 61.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.95 0.405 . . . . 0.0 111.741 -178.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' HB3' ' HG3' ' A' ' 35' ' ' ARG . 1.1 tm-20 -71.57 -36.95 71.07 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.4 m -65.88 -43.09 89.36 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.111 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.5 HG22 ' SG ' ' A' ' 119' ' ' CYS . 24.1 p -66.13 -36.25 82.64 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.255 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -66.88 -42.57 85.36 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.839 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.41 -49.86 76.17 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.812 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.68 -49.27 73.82 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.35 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.4 t -61.1 -48.55 81.14 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.839 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.485 ' O ' ' HG2' ' A' ' 48' ' ' ARG . . . -60.03 -44.77 94.41 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 120.929 0.395 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -56.1 -51.73 66.86 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.969 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 61.7 mtm -79.53 -31.33 42.1 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 28.1 ptt180 -63.29 -28.4 69.99 Favored 'General case' 0 C--O 1.225 -0.223 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.32 -39.97 14.88 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.573 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.454 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 61.9 t30 -67.41 -36.16 80.73 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -177.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.5 p -57.67 -45.3 85.73 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.863 0.364 . . . . 0.0 111.406 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.408 ' HG2' ' H ' ' A' ' 52' ' ' GLN . 12.4 pt20 -81.89 -6.56 59.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.292 0.568 . . . . 0.0 111.345 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.454 ' HB3' ' HA ' ' A' ' 50' ' ' ASN . 16.2 tttm -89.95 -45.11 9.43 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.99 177.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 t -110.75 47.12 1.0 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.327 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 m -69.96 -17.51 63.31 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.381 0.61 . . . . 0.0 110.333 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -62.41 -47.17 85.31 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 175.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -72.36 -56.52 5.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.742 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 28.5 ttp -70.59 107.28 3.82 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.918 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -50.83 24.24 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 174.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt 178.46 137.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.299 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.538 HG23 ' HB1' ' A' ' 24' ' ' ALA . 9.5 m -63.41 132.87 95.28 Favored Pre-proline 0 C--N 1.317 -0.847 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 61' ' ' VAL . 35.1 Cg_exo -60.54 149.8 84.95 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.064 2.509 . . . . 0.0 113.007 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.9 m -85.06 135.38 34.03 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.677 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.654 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.9 OUTLIER -123.7 133.03 70.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.782 178.681 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.1 mt -79.22 106.55 10.43 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 CA-C-O 121.468 0.651 . . . . 0.0 109.283 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.42 94.19 9.78 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.571 -178.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.425 ' OG ' ' HB2' ' A' ' 74' ' ' LYS . 13.2 p -96.21 94.6 7.59 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.271 0.558 . . . . 0.0 110.267 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.9 p -96.31 122.46 47.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.318 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.8 t -132.85 151.46 52.02 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.165 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.45 -19.62 66.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.414 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -98.58 0.37 44.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.233 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.51 144.84 4.01 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.548 -0.834 . . . . 0.0 111.837 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.4 t -110.67 122.75 65.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-O 121.252 0.548 . . . . 0.0 110.897 -178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.425 ' HB2' ' OG ' ' A' ' 67' ' ' SER . 3.8 mptp? -108.54 133.62 52.43 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.873 -178.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.654 ' HB3' HD11 ' A' ' 64' ' ' ILE . 25.7 m-85 -116.3 101.44 8.68 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.255 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.3 mt -114.55 139.76 38.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.381 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.678 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 3.4 t70 -74.99 144.29 43.2 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.365 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.15 -12.87 22.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 m -69.61 -54.75 12.49 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -123.5 3.78 9.02 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.382 0.611 . . . . 0.0 109.944 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.678 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 3.9 ttmp? 64.56 29.16 13.24 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.028 -178.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -77.45 140.66 39.88 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.861 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.6 tp -75.1 112.7 12.94 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-O 121.183 0.516 . . . . 0.0 110.654 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.404 HD11 ' HB2' ' A' ' 77' ' ' ASP . 48.7 mm -71.66 -55.82 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.717 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 177.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -179.48 161.15 1.03 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.678 -1.146 . . . . 0.0 109.798 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -141.48 119.39 11.9 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -116.78 141.53 48.09 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.796 -176.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -71.65 146.78 48.06 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 173.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.9 tp -54.27 -33.16 24.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 120.859 0.361 . . . . 0.0 111.525 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -63.12 -25.82 68.54 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.2 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -81.68 -21.69 37.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.916 0.389 . . . . 0.0 110.712 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.523 ' HA ' HG22 ' A' ' 109' ' ' THR . 41.5 mt -79.66 113.45 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.1 m -90.34 -38.67 13.2 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.866 -176.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 30.3 t -138.68 151.48 47.22 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.874 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.7 101.81 4.16 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.401 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.408 ' HB2' HG22 ' A' ' 37' ' ' THR . . . -114.89 -175.49 2.7 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 120.969 0.414 . . . . 0.0 111.117 -177.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.457 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -153.35 171.64 18.29 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.281 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.577 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 12.3 t70 -71.73 133.29 84.56 Favored Pre-proline 0 C--N 1.318 -0.773 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.533 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 39.7 Cg_exo -59.38 -36.29 94.48 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.157 2.572 . . . . 0.0 113.528 -179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -103.71 -26.17 12.85 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.976 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.577 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 15.3 t70 -113.49 104.64 12.47 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.179 0.514 . . . . 0.0 110.68 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.07 15.85 2.63 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.44 -178.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.9 t -105.64 -0.47 25.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.914 0.387 . . . . 0.0 110.349 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.438 HG23 ' HB2' ' A' ' 98' ' ' ASP . 5.0 t -130.87 134.65 46.98 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-O 121.23 0.538 . . . . 0.0 110.773 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 41.0 p90 -122.17 150.94 41.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.137 -176.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.02 114.9 9.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.34 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 38.2 p90 -107.38 159.27 16.52 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 120.907 0.384 . . . . 0.0 111.191 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 61.6 mt -116.67 122.2 69.38 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.5 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 92' ' ' ILE . 7.9 p -128.15 174.96 8.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.984 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -148.93 116.57 6.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.037 0.446 . . . . 0.0 111.324 178.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.52 ' HB2' ' OG ' ' A' ' 114' ' ' SER . 3.7 m-20 -86.06 170.18 12.47 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.796 176.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.2 tp -68.92 -21.84 64.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.87 0.367 . . . . 0.0 111.164 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -102.19 10.7 39.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.123 0.487 . . . . 0.0 110.391 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.52 ' OG ' ' HB2' ' A' ' 111' ' ' ASP . 25.6 m -103.22 78.53 1.64 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.233 -177.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -58.99 -37.68 77.42 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 175.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.477 ' CD2' ' HA ' ' A' ' 32' ' ' LYS . 8.0 m80 -98.09 147.13 24.86 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.082 -0.963 . . . . 0.0 108.608 173.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -76.85 143.57 39.61 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 120.726 0.298 . . . . 0.0 111.05 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -108.39 115.79 30.77 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.968 0.413 . . . . 0.0 110.798 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.5 ' SG ' HG22 ' A' ' 40' ' ' THR . 52.6 t -86.6 118.71 26.19 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 72.6 m80 -106.18 106.54 17.1 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.862 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.1 p -109.98 130.09 63.76 Favored 'Isoleucine or valine' 0 C--O 1.255 1.387 0 CA-C-O 121.225 0.536 . . . . 0.0 111.04 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 77.6 m-85 -128.81 138.58 52.14 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.023 -178.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.413 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 36.0 p -95.61 121.27 37.13 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.179 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.5 ' HB1' HD22 ' A' ' 129' ' ' LEU . . . -85.05 154.06 22.32 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -84.32 -4.17 58.7 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.04 0.448 . . . . 0.0 110.513 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.401 ' HB3' ' HB2' ' A' ' 129' ' ' LEU . 13.8 t70 -146.02 137.11 24.59 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.841 -178.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.7 -54.72 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.868 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.67 -32.94 72.12 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.038 0.447 . . . . 0.0 110.632 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.5 HD22 ' HB1' ' A' ' 124' ' ' ALA . 9.4 tt -59.92 -51.71 68.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.527 177.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.72 -39.51 94.28 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.396 178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.56 -45.75 90.9 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.124 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.74 -35.4 80.02 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.601 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 129' ' ' LEU . 64.6 mt -56.79 -46.73 83.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 176.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 49.2 mm -61.31 -45.06 99.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.413 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.2 tt -62.1 -43.43 98.86 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.602 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 27.1 m -63.85 -39.26 93.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.324 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.11 -43.69 94.53 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.961 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.75 -50.0 71.82 Favored Glycine 0 C--O 1.245 0.812 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -58.37 -42.45 87.01 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.453 ' HA ' HG12 ' A' ' 143' ' ' VAL . . . -61.24 -42.94 99.49 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 179.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -58.33 -50.25 74.31 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.716 0.293 . . . . 0.0 111.119 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.597 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 11.8 pt-20 -72.91 -44.59 61.05 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -177.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' A' ' 140' ' ' ALA . 9.7 p -63.16 -32.81 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 120.748 0.308 . . . . 0.0 111.606 -177.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -74.39 -21.38 59.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.03 0.443 . . . . 0.0 110.551 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -91.41 -19.0 23.34 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.84 -178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . 0.597 ' HG3' ' O ' ' A' ' 142' ' ' GLU . 97.3 mt-30 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.726 -0.654 . . . . 0.0 110.241 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 120.688 0.28 . . . . 0.0 110.374 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' CB ' ' HG3' ' A' ' 17' ' ' GLN . 0.7 OUTLIER -91.22 137.58 32.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.955 0.407 . . . . 0.0 110.825 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.535 ' HG ' ' H ' ' A' ' 15' ' ' ILE . 1.4 pt? -127.02 -61.8 1.15 Allowed 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.213 177.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.535 ' H ' ' HG ' ' A' ' 14' ' ' LEU . 11.9 tt -72.54 -19.46 19.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 121.28 0.562 . . . . 0.0 110.519 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.15 -29.54 24.7 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.423 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' HG3' ' CB ' ' A' ' 13' ' ' LYS . 36.7 mt-30 -89.67 -18.88 25.6 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.535 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.5 p -75.92 105.82 7.16 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.166 0.508 . . . . 0.0 109.893 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.5 m -109.86 134.27 52.24 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.152 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -116.12 115.42 26.03 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.407 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -125.05 134.2 52.63 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.407 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -90.94 120.24 31.78 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.039 0.447 . . . . 0.0 110.872 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.8 165.91 15.83 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.524 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -103.15 125.93 50.08 Favored 'General case' 0 C--N 1.308 -1.226 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.128 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.479 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.6 OUTLIER -71.55 93.51 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.361 -177.778 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.557 ' HG ' ' HE3' ' A' ' 47' ' ' MET . 38.0 tp -72.43 -59.78 2.56 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.366 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -174.43 171.53 44.64 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 119.599 -1.286 . . . . 0.0 112.983 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.5 p -131.4 102.12 5.82 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.435 ' SD ' ' HB1' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -84.86 156.16 21.41 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.946 0.403 . . . . 0.0 110.617 -179.045 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.487 HD13 ' CE1' ' A' ' 118' ' ' TYR . 18.6 tp -107.52 110.63 22.59 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.5 mm -116.3 118.53 59.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.668 -173.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.596 ' H ' ' HD3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -94.58 -38.51 10.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.2 177.045 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -94.52 55.6 1.98 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.834 177.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.628 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.6 pt? -69.35 132.34 46.25 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.567 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.476 ' HB2' ' HB3' ' A' ' 38' ' ' GLU . 30.9 mtm-85 -123.08 37.06 4.51 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.388 0.613 . . . . 0.0 109.839 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.11 -124.64 6.63 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.678 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.439 HG22 ' HB2' ' A' ' 96' ' ' ALA . 30.1 p -67.44 -14.16 62.68 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.382 0.61 . . . . 0.0 111.498 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 35' ' ' ARG . 4.9 tp10 -65.02 -45.27 86.19 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.718 177.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.453 ' OG ' ' HA ' ' A' ' 34' ' ' LEU . 14.2 m -67.56 -40.18 84.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.218 -177.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.42 ' HB ' ' HB3' ' A' ' 106' ' ' ALA . 25.1 p -65.26 -44.89 86.65 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.454 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -67.29 -39.98 86.02 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.304 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -56.66 -57.14 13.68 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.815 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.435 ' HB1' ' SD ' ' A' ' 29' ' ' MET . . . -63.33 -41.45 98.89 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.0 t -56.05 -62.45 1.69 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.14 86.18 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.655 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -55.62 -56.65 17.9 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.632 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.557 ' HE3' ' HG ' ' A' ' 26' ' ' LEU . 58.9 mtm -77.62 -25.18 49.58 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.511 -0.475 . . . . 0.0 111.974 -179.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -64.32 -30.83 71.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.265 0.555 . . . . 0.0 109.696 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.75 -27.61 21.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.469 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.401 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 63.5 t30 -76.13 -37.36 58.12 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.136 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.7 p -60.32 -39.94 88.82 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.847 0.356 . . . . 0.0 111.33 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -80.23 86.07 5.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.701 0.762 . . . . 0.0 109.7 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.401 ' HE2' ' O ' ' A' ' 50' ' ' ASN . 13.3 tppt? -115.38 154.56 28.98 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.616 -176.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.4 p -66.89 -24.09 66.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.187 0.517 . . . . 0.0 110.003 177.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.5 m -75.67 105.47 6.72 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.432 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -78.94 5.27 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.175 0.512 . . . . 0.0 111.389 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -82.57 -0.48 47.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.235 0.54 . . . . 0.0 109.7 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 51.2 tpp -61.91 148.62 42.97 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.792 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.531 ' HD2' ' N ' ' A' ' 59' ' ' LYS . 3.4 mptp? -97.58 152.47 19.0 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.345 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -86.02 161.48 18.94 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.992 0.425 . . . . 0.0 110.172 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' A' ' 26' ' ' LEU . 15.8 m -88.73 145.57 35.28 Favored Pre-proline 0 C--N 1.305 -1.358 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.08 -178.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 61' ' ' VAL . 1.3 Cg_endo -81.76 155.38 18.0 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 -179.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.7 m -89.32 134.01 34.24 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.478 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.431 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -126.43 131.44 71.39 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.912 -178.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.1 mp -84.95 111.46 20.57 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 76.6 mt -86.59 97.23 10.42 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.002 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.1 m -90.44 92.55 8.93 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 p -99.2 126.06 52.57 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.309 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.5 m -132.37 153.34 50.86 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.216 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.86 -17.09 48.16 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -177.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -102.7 -12.74 17.44 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -178.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 170.93 164.43 26.63 Favored Glycine 0 CA--C 1.509 -0.339 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.084 -177.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.8 t -126.91 135.79 62.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 120.994 0.426 . . . . 0.0 111.189 -178.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -118.55 136.11 54.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.117 178.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.431 ' HB3' HD11 ' A' ' 64' ' ' ILE . 5.0 m-85 -116.6 107.19 14.41 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.7 mp -117.2 142.61 30.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 CA-C-O 120.669 0.271 . . . . 0.0 110.515 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.662 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 2.3 t70 -79.6 145.94 32.81 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.596 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.28 -17.69 22.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.833 0.349 . . . . 0.0 111.552 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -75.06 -57.8 3.68 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.491 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -111.3 -8.02 14.37 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.794 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.662 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 14.0 mmmm 71.69 29.42 2.56 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.315 -177.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -66.3 129.2 39.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.043 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.0 tp -76.25 88.17 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 CA-C-O 121.966 0.888 . . . . 0.0 108.702 175.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.491 HD11 ' HB2' ' A' ' 77' ' ' ASP . 73.7 mt -60.86 -57.18 13.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.015 -175.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.89 160.74 31.33 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 119.722 -0.791 . . . . 0.0 112.643 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -141.3 134.54 29.46 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.953 -1.021 . . . . 0.0 108.716 175.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.57 154.92 29.32 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.329 178.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -66.33 141.09 58.1 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.572 HD13 ' O ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -59.05 -27.99 37.53 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 CA-C-O 120.849 0.356 . . . . 0.0 111.473 -176.123 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -7.5 34.44 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.491 ' ND2' HG22 ' A' ' 109' ' ' THR . 0.1 OUTLIER -84.61 -13.6 51.15 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.962 0.41 . . . . 0.0 110.446 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.9 mt -82.51 105.17 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.8 t -72.9 -40.21 65.74 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.085 -175.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.4 t -151.54 152.09 32.46 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.191 -0.604 . . . . 0.0 111.383 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.78 124.5 26.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.566 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.439 ' HB2' HG22 ' A' ' 37' ' ' THR . . . -141.84 172.92 12.02 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.831 0.348 . . . . 0.0 111.297 -178.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.528 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 18.8 pt20 -141.46 168.78 18.94 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.265 178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.623 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 13.1 t70 -70.37 136.6 86.39 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.756 -178.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -63.06 -39.53 39.21 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.913 2.408 . . . . 0.0 113.674 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -99.07 -33.54 10.76 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.816 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.623 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 24.3 t70 -104.79 106.17 16.55 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.295 0.569 . . . . 0.0 109.989 177.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -84.33 13.9 4.91 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.427 -176.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.1 t -109.59 -1.41 18.19 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 120.892 0.377 . . . . 0.0 110.271 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.7 m -119.48 133.44 55.69 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.223 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 40.7 p90 -134.88 158.24 44.76 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.859 0.362 . . . . 0.0 110.835 -178.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.42 ' HB3' ' HB ' ' A' ' 40' ' ' THR . . . -148.6 136.32 20.66 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.304 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -123.49 140.18 53.26 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-O 121.297 0.57 . . . . 0.0 111.24 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.3 mt -93.38 119.16 40.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.846 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.491 HG22 ' ND2' ' A' ' 91' ' ' ASN . 0.2 OUTLIER -113.39 139.99 48.43 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.598 -174.102 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -89.69 103.87 16.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.547 178.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -103.89 99.1 8.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.123 0.487 . . . . 0.0 110.93 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.6 mt -68.09 -14.47 63.0 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.823 -176.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -74.15 -28.0 61.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.721 0.296 . . . . 0.0 110.735 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.9 t -111.49 -23.36 10.77 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.478 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.1 t30 75.48 -38.75 0.37 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.929 0.892 . . . . 0.0 111.065 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.421 ' NE2' ' HB3' ' A' ' 32' ' ' LYS . 3.5 t-160 -73.71 128.43 35.49 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.02 129.85 42.16 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -177.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.487 ' CE1' HD13 ' A' ' 30' ' ' LEU . 67.5 m-85 -102.74 145.49 29.64 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.513 177.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 43.7 t -120.49 105.64 11.04 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 176.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -96.15 109.68 22.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.395 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.7 p -106.95 127.04 62.89 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.578 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 18.0 m-85 -124.59 148.8 47.64 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.155 -178.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 32.9 p -102.55 120.11 39.97 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.869 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.2 150.97 27.1 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -85.27 8.89 16.88 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 120.736 0.303 . . . . 0.0 110.409 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' ' 128' ' ' ASN . 21.0 t70 -166.85 142.57 4.36 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.743 -178.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 89.4 t -62.8 -48.39 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.533 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.498 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 7.9 t30 -60.87 -42.33 97.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.107 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.436 ' O ' HG13 ' A' ' 133' ' ' ILE . 2.8 tm? -56.58 -47.07 80.35 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.836 178.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.8 -44.24 97.11 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.735 178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.8 96.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.798 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 128' ' ' ASN . 29.7 mm-40 -58.87 -46.73 87.12 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.327 177.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 129' ' ' LEU . 55.1 mt -58.11 -53.59 43.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.062 178.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.46 HD11 ' HB2' ' A' ' 105' ' ' PHE . 45.8 mm -57.84 -44.62 86.65 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.33 -49.06 79.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.694 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 23.6 m -65.54 -43.84 88.71 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.251 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.08 -48.05 83.34 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.853 0.358 . . . . 0.0 110.517 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.28 -45.13 96.61 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.249 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.664 HE21 ' HA ' ' A' ' 139' ' ' GLN . 0.0 OUTLIER -63.26 -43.61 97.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.656 0.265 . . . . 0.0 110.665 179.23 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.96 -43.92 97.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.755 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -66.9 -37.42 84.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.236 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.99 -53.58 53.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.73 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.0 p -67.93 -25.54 32.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.944 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -71.67 -40.12 69.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.29 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -69.37 -23.78 63.79 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.169 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.867 178.051 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 121.077 0.465 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -141.61 83.24 1.85 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.721 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.757 HD13 ' H ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.37 -23.11 61.84 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -177.009 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.482 ' N ' HD22 ' A' ' 14' ' ' LEU . 9.5 tp -56.94 -27.32 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -178.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.82 73.11 2.29 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 120.921 0.391 . . . . 0.0 111.792 -178.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 56.98 25.87 11.16 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.091 174.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.1 m -130.87 178.36 6.72 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.574 -177.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.532 ' HB2' HG13 ' A' ' 68' ' ' VAL . 99.0 m -152.35 107.64 3.28 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.422 176.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -101.89 120.66 40.75 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.213 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.613 ' HB3' HD21 ' A' ' 129' ' ' LEU . 75.8 m-85 -135.34 148.39 49.43 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 120.675 0.274 . . . . 0.0 111.287 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -99.42 107.91 20.25 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.829 0.347 . . . . 0.0 110.075 178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.33 175.49 5.59 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.574 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -101.69 130.57 48.09 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-O 120.752 0.31 . . . . 0.0 110.659 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.471 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 5.6 t80 -72.72 100.46 2.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.286 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 29.1 tp -84.25 -64.49 1.15 Allowed 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.391 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.9 161.64 25.5 Favored Glycine 0 C--N 1.34 0.802 0 C-N-CA 118.919 -1.61 . . . . 0.0 113.899 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.453 ' HA ' ' HA ' ' A' ' 120' ' ' HIS . 9.1 t -115.14 115.85 27.43 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 177.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -118.35 136.26 53.83 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.963 0.411 . . . . 0.0 111.344 -175.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 54.2 tp -89.34 124.17 34.19 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.825 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.7 mm -97.73 136.63 27.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.819 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -75.01 -52.11 11.91 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.021 0.439 . . . . 0.0 110.003 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -122.47 103.0 8.42 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.701 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.514 HD21 HD13 ' A' ' 108' ' ' ILE . 1.9 tm? -70.78 114.05 8.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.26 -178.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.49 ' HG3' ' HB2' ' A' ' 38' ' ' GLU . 5.9 ptp85 -120.49 86.02 2.49 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.215 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.19 -129.6 32.3 Favored Glycine 0 C--N 1.329 0.148 0 CA-C-N 115.558 -0.746 . . . . 0.0 113.612 178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -98.08 7.89 45.6 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 121.492 0.663 . . . . 0.0 110.441 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' HB2' ' HG3' ' A' ' 35' ' ' ARG . 13.0 mm-40 -73.12 -46.11 53.06 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.3 m -57.47 -42.98 83.64 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.972 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.7 p -65.51 -44.22 87.69 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.404 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -63.4 -41.51 98.76 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.81 177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -54.47 -59.52 4.57 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.146 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 47' ' ' MET . . . -60.5 -45.17 94.76 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.13 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.9 t -57.92 -56.37 22.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.74 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.84 -49.78 76.35 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.961 0.41 . . . . 0.0 111.681 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -65.32 -38.52 90.43 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.761 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.456 ' HB2' ' O ' ' A' ' 43' ' ' ALA . 13.6 ttm -71.13 -44.68 65.1 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.292 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.431 ' NH2' ' HB3' ' A' ' 101' ' ' ASP . 5.4 ptp180 -64.39 -36.19 83.36 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.968 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.44 99.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.324 178.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -73.26 -30.22 63.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.706 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 38.8 t -68.87 -12.4 61.53 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 122.807 0.443 . . . . 0.0 111.856 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 13.1 pt20 -122.49 22.91 9.83 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.037 0.446 . . . . 0.0 110.423 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -138.28 98.17 3.55 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.09 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.0 t 62.18 43.93 8.18 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.407 0.622 . . . . 0.0 110.741 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 1.4 p -127.37 69.18 1.29 Allowed 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.055 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.48 -40.62 85.26 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.083 0.468 . . . . 0.0 111.086 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -76.34 -49.36 17.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.397 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.8 ttt -70.8 -16.58 62.74 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.52 -177.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 55' ' ' THR . 41.0 ttmt -55.02 -39.86 69.55 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.772 0.32 . . . . 0.0 111.397 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -95.8 85.38 4.09 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.108 0.48 . . . . 0.0 110.382 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.574 HG23 ' HB1' ' A' ' 24' ' ' ALA . 4.0 m -80.18 130.97 63.98 Favored Pre-proline 0 C--N 1.311 -1.068 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.17 177.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.06 138.25 84.34 Favored 'Trans proline' 0 C--O 1.241 0.645 0 C-N-CA 122.943 2.429 . . . . 0.0 113.177 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.2 m -74.52 132.46 41.86 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.49 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -126.2 137.64 57.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.998 -177.23 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 60.4 mt -89.04 107.69 18.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.401 0.62 . . . . 0.0 110.162 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.2 mt -87.21 103.68 15.66 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.786 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.557 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 15.1 m -100.63 97.9 8.52 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-O 121.014 0.435 . . . . 0.0 109.897 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.532 HG13 ' HB2' ' A' ' 19' ' ' CYS . 2.4 p -100.75 129.13 52.11 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.385 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.3 p -129.29 164.85 22.62 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.72 -10.75 29.57 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -113.11 5.44 17.1 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 148.51 -176.28 27.38 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 119.637 -1.268 . . . . 0.0 112.704 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.1 m -130.5 136.13 59.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.336 0.589 . . . . 0.0 111.392 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.557 ' HG3' ' HB2' ' A' ' 67' ' ' SER . 22.6 pttp -126.08 110.31 13.39 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-O 121.59 0.71 . . . . 0.0 109.629 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.49 ' HB3' HD11 ' A' ' 64' ' ' ILE . 21.9 m-85 -94.44 106.0 17.97 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.71 -178.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.0 mt -110.89 146.57 15.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.926 -174.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.512 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 23.0 t70 -70.48 145.53 50.87 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.03 -18.08 29.73 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.3 m -97.23 -50.69 4.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.789 0.328 . . . . 0.0 111.513 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -99.06 -10.6 22.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.852 -177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 68.2 mttm 62.78 27.66 16.15 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.54 0.686 . . . . 0.0 110.119 -177.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.495 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 63.4 t30 -75.61 135.14 40.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.511 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.745 HD13 ' H ' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -71.75 108.82 3.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.402 0.62 . . . . 0.0 109.569 175.775 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 84.6 mt -90.61 -53.47 8.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.192 -176.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -144.7 110.96 5.54 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.092 0.472 . . . . 0.0 111.59 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -115.74 120.08 38.14 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -145.24 148.46 33.53 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.6 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.59 154.97 40.51 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.6 tt -67.65 -14.42 18.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.376 0.607 . . . . 0.0 110.52 -179.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.8 mmm-85 -64.54 -22.93 67.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.456 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -86.13 -7.08 58.84 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.248 0.547 . . . . 0.0 110.326 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.402 HG12 HG22 ' A' ' 109' ' ' THR . 18.9 mt -97.76 141.07 16.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.1 p -113.31 -34.58 5.59 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.2 t -153.38 166.61 32.12 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.941 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 107' ' ' TYR . . . -143.41 112.66 6.77 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -123.66 172.67 8.64 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.144 0.497 . . . . 0.0 111.337 -177.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 25.0 pt20 -138.14 177.01 8.2 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.99 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.597 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 15.0 t70 -89.36 130.08 45.12 Favored Pre-proline 0 C--N 1.315 -0.926 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.598 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 30.5 Cg_exo -63.01 -37.71 51.38 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.05 2.5 . . . . 0.0 114.155 -178.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -92.14 -36.91 13.05 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.674 -0.411 . . . . 0.0 111.749 -176.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.597 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 17.6 t70 -115.54 94.97 4.93 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mp -76.58 18.84 0.3 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.657 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -108.15 0.17 21.4 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.8 m -120.1 127.06 52.19 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.6 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.461 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 46.3 p90 -130.78 152.6 49.95 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.083 -178.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.37 116.64 9.54 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.609 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.498 ' CZ ' ' HB3' ' A' ' 120' ' ' HIS . 50.5 p90 -94.81 148.14 22.61 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.944 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.514 HD13 HD21 ' A' ' 34' ' ' LEU . 56.9 mt -107.73 125.74 64.17 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.281 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.53 -177.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.402 HG22 HG12 ' A' ' 92' ' ' ILE . 12.8 p -117.1 151.75 36.17 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.942 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.23 81.51 1.62 Allowed 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.463 0.649 . . . . 0.0 110.478 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -70.75 117.67 12.56 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.653 -178.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.593 HD23 ' H ' ' A' ' 112' ' ' LEU . 2.2 pt? -58.21 -18.13 23.93 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -95.38 -22.97 17.38 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.663 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' A' ' 115' ' ' ASN . 26.9 t -92.52 -23.08 19.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.421 ' HB3' ' O ' ' A' ' 114' ' ' SER . 33.2 t30 73.62 -54.73 0.68 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.205 0.602 . . . . 0.0 111.161 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -79.16 162.95 25.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.637 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -81.97 130.77 35.17 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -176.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -95.65 119.83 34.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.834 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 97.8 m -101.8 106.71 17.74 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 107' ' ' TYR . 3.2 t-160 -98.36 116.64 31.02 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.4 p -104.47 133.15 49.35 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.38 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.49 ' CE1' HG21 ' A' ' 64' ' ' ILE . 48.4 m-85 -123.8 140.27 53.15 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.569 177.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.44 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 7.4 p -98.78 114.95 27.72 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.149 178.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.26 155.85 24.65 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.78 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -91.62 7.12 43.01 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.241 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -164.11 145.49 8.69 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.528 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 92.8 t -65.74 -45.42 91.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.721 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -59.05 -40.56 85.51 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-O 121.03 0.443 . . . . 0.0 109.836 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.613 HD21 ' HB3' ' A' ' 21' ' ' TYR . 5.4 tt -58.22 -53.31 59.75 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.689 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.86 91.8 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.184 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.37 -42.58 91.95 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.385 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -60.15 -48.25 82.49 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.5 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.7 mt -57.19 -45.65 84.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.462 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.447 HD11 ' HB2' ' A' ' 105' ' ' PHE . 41.1 mm -60.23 -41.23 86.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 CA-C-O 120.983 0.42 . . . . 0.0 110.482 178.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.4 tt -63.33 -51.12 67.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.179 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 24.8 m -58.08 -50.74 72.43 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.323 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 81.9 mt -57.62 -48.79 78.46 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.742 0.306 . . . . 0.0 111.434 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.6 -48.21 87.35 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.051 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -69.46 -35.57 75.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.692 0.282 . . . . 0.0 111.223 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.417 ' O ' HG12 ' A' ' 143' ' ' VAL . . . -66.86 -40.55 87.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.862 0.363 . . . . 0.0 110.74 179.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -71.43 -32.2 68.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.227 0.537 . . . . 0.0 109.913 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.24 -44.28 79.83 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.149 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' ' 140' ' ' ALA . 7.3 p -67.76 -23.29 29.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.252 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -77.81 -20.84 52.5 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.206 177.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -83.62 -31.4 26.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.014 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.466 -0.778 . . . . 0.0 110.86 -179.823 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -134.33 117.15 16.06 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.025 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mp -92.53 12.78 21.83 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.962 -178.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.6 tp -60.8 -17.33 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.76 -11.09 19.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.088 0.47 . . . . 0.0 111.196 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -118.82 -0.26 11.27 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.429 0.633 . . . . 0.0 110.608 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.534 ' HB3' ' HB2' ' A' ' 69' ' ' SER . 68.7 p -163.87 158.28 19.73 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.04 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.635 ' SG ' HG13 ' A' ' 68' ' ' VAL . 32.0 p -99.31 118.15 35.33 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.984 178.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -108.87 117.35 33.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.208 -177.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.471 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 65.4 m-85 -138.74 179.61 6.38 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.451 ' HB2' ' NZ ' ' A' ' 22' ' ' LYS . 9.2 mtmp? -115.98 114.97 25.34 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.01 0.433 . . . . 0.0 110.403 178.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -105.87 170.9 7.63 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.438 ' HB3' ' OG1' ' A' ' 123' ' ' THR . . . -108.25 124.08 49.76 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.688 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.444 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 1.8 t80 -67.34 99.44 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.457 HD22 HG23 ' A' ' 123' ' ' THR . 33.3 tp -84.89 -55.53 4.03 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.515 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.15 160.04 30.54 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 118.94 -1.6 . . . . 0.0 113.833 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.3 p -132.09 111.16 11.24 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -113.14 144.57 42.43 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.91 0.386 . . . . 0.0 111.006 -176.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.502 HD23 ' CD2' ' A' ' 118' ' ' TYR . 3.3 tm? -105.57 121.48 44.06 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.2 mm -96.67 131.42 43.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.718 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.45 ' HG3' ' HG2' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -58.6 -49.91 75.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.536 -179.008 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.45 ' HG2' ' HG3' ' A' ' 32' ' ' LYS . 16.9 pt-20 -160.63 123.17 3.24 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.978 HD11 ' HB2' ' A' ' 38' ' ' GLU . 2.2 tm? -176.56 139.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.65 ' N ' HD13 ' A' ' 34' ' ' LEU . 5.3 ptp180 -118.53 120.54 37.82 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.571 177.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.78 -159.01 14.04 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 119.889 -1.148 . . . . 0.0 114.925 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 15.2 t -79.04 -13.3 59.86 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.484 0.714 . . . . 0.0 112.84 -174.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.978 ' HB2' HD11 ' A' ' 34' ' ' LEU . 53.8 mm-40 -53.24 -33.9 54.89 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.975 0.417 . . . . 0.0 110.636 178.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.59 ' OG ' HD12 ' A' ' 34' ' ' LEU . 14.5 m -56.37 -48.25 77.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.858 176.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.0 p -68.53 -40.45 80.75 Favored 'General case' 0 C--O 1.215 -0.725 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 37' ' ' THR . 18.9 mm-40 -57.74 -49.1 77.68 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.497 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -66.31 -50.14 64.64 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.1 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.517 ' O ' ' HB3' ' A' ' 47' ' ' MET . . . -58.42 -52.09 67.09 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.014 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.446 ' HA ' ' HE3' ' A' ' 47' ' ' MET . 8.3 t -56.62 -52.81 63.43 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.345 -178.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.98 -59.46 4.72 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -65.96 -53.41 39.37 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -176.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.517 ' HB3' ' O ' ' A' ' 43' ' ' ALA . 2.2 tmm? -65.06 -34.68 79.01 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -64.36 -47.88 77.65 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . . . -68.75 -13.78 62.6 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.322 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -84.86 -46.73 11.05 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.966 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.2 t -82.84 -81.07 0.16 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.119 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -108.41 108.32 19.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.016 0.436 . . . . 0.0 111.604 -175.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.554 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -148.76 -11.87 0.33 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.787 -178.653 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 m -58.03 -57.87 10.91 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.623 0.249 . . . . 0.0 111.533 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 95.5 m -155.72 -73.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.541 0.21 . . . . 0.0 111.433 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -99.34 170.3 8.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.761 0.315 . . . . 0.0 111.364 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -71.05 97.88 1.55 Allowed 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.8 mtt -68.91 111.82 5.19 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.957 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -82.9 106.26 14.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.665 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -159.38 26.6 0.2 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.571 0.7 . . . . 0.0 109.513 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.432 ' HB ' ' O ' ' A' ' 25' ' ' TYR . 27.5 m -110.4 150.41 41.58 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.733 -178.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.23 144.12 67.35 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.939 2.426 . . . . 0.0 112.512 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.3 m -87.05 135.01 33.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.607 HG21 ' CE1' ' A' ' 122' ' ' PHE . 0.0 OUTLIER -131.63 133.63 61.37 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 120.904 0.383 . . . . 0.0 110.348 -178.283 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.3 mt -77.75 111.7 14.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.478 0.656 . . . . 0.0 110.389 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.39 101.04 13.26 Favored 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.201 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.536 ' HA ' ' O ' ' A' ' 19' ' ' CYS . 46.4 t -119.47 122.56 41.98 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 121.138 0.494 . . . . 0.0 110.365 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.635 HG13 ' SG ' ' A' ' 19' ' ' CYS . 0.3 OUTLIER -125.2 130.01 73.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.248 -177.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.534 ' HB2' ' HB3' ' A' ' 18' ' ' SER . 22.2 t -121.24 158.29 28.42 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.193 177.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.81 -15.45 62.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.027 0.442 . . . . 0.0 111.051 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.5 22.86 13.27 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.574 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 147.42 150.06 5.11 Favored Glycine 0 CA--C 1.506 -0.479 0 C-N-CA 119.52 -1.324 . . . . 0.0 113.181 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.423 HG22 HG23 ' A' ' 68' ' ' VAL . 35.2 t -117.78 138.72 47.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.527 ' HG3' ' HB3' ' A' ' 67' ' ' SER . 0.5 OUTLIER -130.52 133.16 46.04 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.603 0.716 . . . . 0.0 111.697 -178.11 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.549 ' HB3' HD11 ' A' ' 64' ' ' ILE . 17.7 m-85 -119.57 103.58 9.54 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.928 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.421 ' O ' HG12 ' A' ' 64' ' ' ILE . 4.2 mp -112.91 143.7 22.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.465 ' HB3' ' H ' ' A' ' 82' ' ' ASN . 9.5 t70 -67.61 132.7 48.04 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.28 -24.55 39.97 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -176.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.4 m -98.63 -44.24 6.52 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 120.914 0.388 . . . . 0.0 111.1 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -91.33 -13.96 31.63 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.63 -176.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt 63.31 19.13 11.5 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.257 0.551 . . . . 0.0 110.968 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.465 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 56.2 t30 -81.38 135.45 35.66 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.373 -177.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.784 HD13 ' H ' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -75.14 92.08 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-O 121.899 0.857 . . . . 0.0 109.721 175.652 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.7 mt -69.77 -52.08 34.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.037 -176.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -165.82 139.25 4.34 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.523 178.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -151.24 124.37 8.75 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -147.24 176.04 10.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.959 0.409 . . . . 0.0 111.303 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -69.62 150.15 47.36 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.687 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.9 tp -60.15 -36.15 66.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-O 120.683 0.278 . . . . 0.0 111.387 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -73.43 1.17 10.31 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -84.68 -20.79 30.67 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 175.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.9 mt -79.59 108.08 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.053 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.3 t -69.87 -39.59 76.22 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.838 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.582 ' HB2' ' CG1' ' A' ' 108' ' ' ILE . 17.1 m -150.61 149.72 30.25 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 120.79 0.328 . . . . 0.0 111.723 -178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.82 109.85 5.58 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.07 142.45 42.39 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.015 0.436 . . . . 0.0 112.049 -175.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.44 ' CD ' ' H ' ' A' ' 97' ' ' GLN . 5.2 pm0 -92.83 143.82 25.89 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 174.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -86.72 150.04 49.8 Favored Pre-proline 0 C--N 1.304 -1.405 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -173.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.54 -36.41 34.06 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.392 2.728 . . . . 0.0 113.674 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -70.97 -20.35 62.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -157.75 114.86 2.96 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.868 0.366 . . . . 0.0 110.637 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.8 -9.86 58.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.5 p -97.03 2.6 51.61 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.42 0.629 . . . . 0.0 110.085 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 89.0 m -110.66 122.44 47.79 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.514 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.429 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 41.0 p90 -132.84 143.74 49.74 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.979 0.418 . . . . 0.0 111.213 -177.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -130.73 139.8 50.29 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.463 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 120' ' ' HIS . 43.2 p90 -122.48 150.56 42.35 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.745 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.582 ' CG1' ' HB2' ' A' ' 94' ' ' CYS . 1.4 mm -107.8 116.61 51.63 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.9 p -115.6 160.23 20.27 Favored 'General case' 0 C--N 1.311 -1.075 0 O-C-N 123.336 0.397 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.14 76.93 1.65 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.927 0.87 . . . . 0.0 110.587 177.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.7 172.13 9.24 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.498 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.21 -12.04 60.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.34 0.591 . . . . 0.0 110.008 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' A' ' 113' ' ' LYS . 0.5 OUTLIER -104.0 2.55 32.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.672 176.779 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.8 m -132.44 77.03 1.73 Allowed 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.549 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -71.01 -18.52 62.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.343 0.592 . . . . 0.0 109.779 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.458 ' HB2' HD21 ' A' ' 30' ' ' LEU . 27.1 m80 -94.07 171.78 8.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.273 175.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -82.3 106.11 13.92 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.101 0.477 . . . . 0.0 111.214 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.502 ' CD2' HD23 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -92.25 122.42 34.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.555 179.704 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 19.7 p -109.3 114.53 28.29 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.311 0.576 . . . . 0.0 110.349 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 107' ' ' TYR . 3.6 t-160 -107.33 119.24 38.86 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.336 -179.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.476 HG11 ' CE ' ' A' ' 47' ' ' MET . 7.8 p -109.47 131.5 60.18 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 CA-C-O 121.259 0.552 . . . . 0.0 111.461 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.607 ' CE1' HG21 ' A' ' 64' ' ' ILE . 56.9 m-85 -124.19 148.32 47.35 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.594 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.457 HG23 HD22 ' A' ' 26' ' ' LEU . 22.9 p -110.95 130.98 55.42 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.405 177.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.9 162.19 14.52 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.799 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -92.7 3.3 55.86 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.222 0.534 . . . . 0.0 109.968 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -160.75 138.04 9.19 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.633 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 86.4 t -63.65 -46.12 95.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.682 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.99 -38.02 87.03 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.062 0.458 . . . . 0.0 110.317 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.7 -52.08 66.62 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.488 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.44 97.46 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.889 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.87 94.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.827 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.35 -38.57 91.5 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.257 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 67.1 mt -61.31 -47.29 94.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 25.9 mm -58.17 -45.23 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.405 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 75.4 mt -58.95 -51.42 70.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.97 178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.9 m -57.48 -43.89 84.45 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.692 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 75.9 mt -61.94 -46.61 88.56 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.903 0.382 . . . . 0.0 110.342 177.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.67 -49.63 76.42 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.186 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.77 -38.74 86.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.731 0.301 . . . . 0.0 110.879 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.62 -38.83 92.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 0.0 110.352 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -74.35 -32.1 62.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.073 178.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -65.68 -47.11 76.59 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.924 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.53 -12.05 15.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.093 0.473 . . . . 0.0 110.629 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -71.0 -18.48 62.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -83.65 -4.74 58.85 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.891 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.625 -0.702 . . . . 0.0 109.724 -178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.738 0.304 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -76.34 132.11 39.58 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.084 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.5 mt -79.67 4.91 14.7 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.947 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.9 tt -57.42 -16.81 5.65 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-O 121.082 0.468 . . . . 0.0 112.137 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -91.81 -17.22 25.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.824 0.345 . . . . 0.0 111.082 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -115.15 -17.88 11.29 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.304 0.573 . . . . 0.0 110.912 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.9 p -122.25 120.68 34.82 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.126 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.8 m -74.85 111.99 10.62 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -91.09 113.43 25.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.575 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -119.1 123.2 43.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.468 0.175 . . . . 0.0 110.827 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -83.36 108.06 16.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.879 0.371 . . . . 0.0 110.363 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.77 167.14 10.59 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.57 ' HB1' ' CG2' ' A' ' 61' ' ' VAL . . . -105.16 118.41 36.48 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.519 -179.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.483 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.3 OUTLIER -70.36 107.52 3.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.069 -178.124 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.406 ' HB3' HG13 ' A' ' 121' ' ' VAL . 33.6 tp -86.33 -52.87 5.35 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.361 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.82 150.61 8.96 Favored Glycine 0 C--N 1.336 0.569 0 C-N-CA 119.444 -1.36 . . . . 0.0 113.514 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.3 p -106.12 104.47 14.18 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.6 tpp -109.58 133.47 53.07 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 120.971 0.415 . . . . 0.0 111.216 -175.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.6 tp -84.92 117.27 23.82 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.053 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 22.6 mm -87.75 127.73 40.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.636 -175.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -81.08 -58.04 3.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.546 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -96.6 99.72 11.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.609 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -80.72 107.17 13.3 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.596 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.466 ' HG3' ' HB2' ' A' ' 38' ' ' GLU . 13.0 ptp180 -127.7 29.22 5.51 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.29 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.14 -143.69 18.93 Favored Glycine 0 C--N 1.324 -0.125 0 CA-C-N 115.862 -0.608 . . . . 0.0 113.507 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 t -67.33 -12.62 60.62 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.331 0.586 . . . . 0.0 111.344 -178.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.466 ' HB2' ' HG3' ' A' ' 35' ' ' ARG . 19.6 mm-40 -66.5 -41.01 89.54 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.204 0.526 . . . . 0.0 109.716 176.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.0 m -64.38 -39.71 94.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.108 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.421 HG22 ' SG ' ' A' ' 119' ' ' CYS . 61.2 p -66.4 -43.9 84.52 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 120.985 -0.286 . . . . 0.0 110.519 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -62.19 -40.29 95.55 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.059 178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' A' ' 46' ' ' LYS . 21.8 t70 -58.88 -53.2 61.06 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.368 178.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.09 -51.46 67.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.242 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.436 ' SG ' HG21 ' A' ' 104' ' ' THR . 45.6 t -54.11 -57.4 11.22 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.099 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.28 -29.5 69.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 1.4 tppp? -60.81 -65.2 0.73 Allowed 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.167 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -66.08 -32.64 74.23 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.676 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 48' ' ' ARG . 44.3 ttt180 -61.39 -47.53 85.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.735 0.302 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.78 -11.87 54.86 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -94.52 -41.19 9.48 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.889 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 48.6 t -70.04 -9.65 56.03 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.833 -177.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -76.6 10.27 2.25 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.144 0.497 . . . . 0.0 110.24 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -52.36 -36.45 53.77 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 123.844 0.858 . . . . 0.0 110.746 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.9 m -133.62 144.09 49.03 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.245 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 15.4 m 75.23 -13.68 0.83 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.077 0.551 . . . . 0.0 112.37 177.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 55' ' ' THR . 34.3 mm-40 71.07 -57.73 0.59 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.32 0.648 . . . . 0.0 110.566 -176.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -127.53 108.59 10.93 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 176.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.405 ' SD ' ' N ' ' A' ' 58' ' ' MET . 0.4 OUTLIER -60.0 128.89 39.1 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.902 -178.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.38 -39.69 95.2 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.504 -177.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.05 160.05 30.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.256 0.55 . . . . 0.0 111.379 178.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.572 ' HB ' ' HD2' ' A' ' 62' ' ' PRO . 29.7 m -138.52 170.88 9.23 Favored Pre-proline 0 C--N 1.308 -1.212 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 176.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.572 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 85.5 Cg_exo -48.77 107.4 0.14 Allowed 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.442 2.095 . . . . 0.0 113.48 -177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.2 m -76.35 127.05 32.11 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.467 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -124.96 138.51 54.0 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.328 -177.006 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.511 HG13 ' HB2' ' A' ' 78' ' ' ALA . 35.9 mt -89.73 99.82 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-O 120.994 0.426 . . . . 0.0 110.211 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.12 95.64 4.96 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.531 ' HB3' ' HG3' ' A' ' 74' ' ' LYS . 36.8 t -97.65 109.56 22.29 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-O 121.509 0.671 . . . . 0.0 110.182 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 p -112.42 134.29 55.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.314 -177.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.1 t -140.1 -179.81 6.19 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.35 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.62 105.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.951 -179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.524 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 49.2 mtmt 68.75 4.48 4.43 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.363 -0.835 . . . . 0.0 113.238 177.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -137.94 136.48 8.18 Favored Glycine 0 CA--C 1.508 -0.375 0 C-N-CA 119.526 -1.321 . . . . 0.0 113.222 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.1 t -131.07 124.83 56.59 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 CA-C-O 121.4 0.619 . . . . 0.0 110.839 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.531 ' HG3' ' HB3' ' A' ' 67' ' ' SER . 14.5 pttp -119.88 126.01 49.88 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.664 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.467 ' HB3' HD11 ' A' ' 64' ' ' ILE . 4.5 m-85 -106.35 100.05 9.6 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.184 -175.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.1 mt -107.82 144.91 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.556 -178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.733 ' HB3' ' H ' ' A' ' 82' ' ' ASN . 17.1 t70 -76.1 133.53 40.26 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.507 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.511 ' HB2' HG13 ' A' ' 65' ' ' ILE . . . -91.03 -10.02 43.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -177.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.7 m -91.4 -45.62 8.46 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -135.04 31.44 3.26 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.696 -176.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt 44.04 44.59 6.26 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.525 0.73 . . . . 0.0 112.384 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.733 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 53.2 t30 -93.14 134.57 35.17 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.538 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.6 tp -79.33 92.46 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.677 0.751 . . . . 0.0 109.331 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.42 -57.17 8.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.289 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.61 159.82 43.21 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.436 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -154.39 113.52 3.69 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -152.71 144.38 23.5 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.475 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.45 151.56 32.31 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.9 tt -63.46 -16.0 17.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.025 0.44 . . . . 0.0 111.269 -177.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -69.51 -14.97 63.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.158 0.504 . . . . 0.0 110.396 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -80.45 -18.05 49.91 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.2 mt -88.96 126.56 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.02 177.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.3 t -98.02 -28.79 13.62 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.46 -176.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 53.6 t -152.81 151.67 30.71 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.597 -0.441 . . . . 0.0 111.054 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.25 106.13 5.17 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.08 142.72 50.95 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.986 0.422 . . . . 0.0 112.025 -176.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 21.3 pt20 -103.5 156.95 17.38 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.632 176.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.09 139.99 79.9 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-O 121.15 0.5 . . . . 0.0 111.916 -178.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -68.03 -39.23 11.18 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.705 2.27 . . . . 0.0 112.737 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -83.23 -17.17 43.66 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.593 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -147.65 111.21 4.97 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.907 0.384 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.8 mp -85.66 9.56 15.87 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.5 t -100.37 8.23 43.78 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.436 HG21 ' SG ' ' A' ' 44' ' ' CYS . 15.2 m -132.01 134.98 46.19 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.51 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 43.4 p90 -141.88 152.04 43.23 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.938 0.399 . . . . 0.0 110.846 -177.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.35 124.68 16.55 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.393 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -105.46 144.39 32.29 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.116 0.484 . . . . 0.0 110.334 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.505 ' CG2' ' HB3' ' A' ' 117' ' ' HIS . 57.8 mt -109.68 125.36 66.85 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.198 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.0 p -106.14 149.4 26.81 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.875 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -98.99 69.12 1.75 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.622 0.725 . . . . 0.0 109.641 177.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -82.5 102.66 11.5 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.272 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.488 HD23 ' H ' ' A' ' 112' ' ' LEU . 2.5 pt? -61.36 -23.13 65.55 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.773 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.54 -23.25 67.21 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.971 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.3 m -115.99 -1.36 12.53 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.605 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 67.98 -61.85 0.37 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.039 0.936 . . . . 0.0 112.138 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -74.55 170.62 15.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.025 0.441 . . . . 0.0 110.502 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.505 ' HB3' ' CG2' ' A' ' 108' ' ' ILE . 77.1 m80 -90.58 125.21 35.55 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.982 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.401 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 0.8 OUTLIER -88.2 119.26 28.44 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.02 179.429 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.421 ' SG ' HG22 ' A' ' 40' ' ' THR . 44.9 t -92.53 110.64 22.06 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 177.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.436 ' HB3' ' CE1' ' A' ' 122' ' ' PHE . 76.9 m80 -97.6 104.32 16.34 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.406 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.2 p -97.33 128.92 48.13 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 0 CA-C-O 121.142 0.496 . . . . 0.0 111.13 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.483 ' CD2' ' HA ' ' A' ' 25' ' ' TYR . 85.8 m-85 -128.66 142.09 51.14 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.093 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.404 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 27.8 p -98.39 125.28 43.49 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.435 177.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.9 152.4 22.11 Favored 'General case' 0 C--N 1.306 -1.289 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.066 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -74.45 -22.55 59.06 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.452 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -146.65 153.43 40.3 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.851 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.61 -45.76 96.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.9 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.416 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 11.4 t30 -62.41 -35.11 78.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.537 178.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.407 ' O ' HG13 ' A' ' 133' ' ' ILE . 2.9 tm? -62.33 -47.6 83.53 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.12 -45.16 94.71 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.51 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.34 -43.56 88.35 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.892 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 128' ' ' ASN . 43.7 mm-40 -59.3 -46.39 88.69 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.982 178.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 129' ' ' LEU . 48.4 mt -57.64 -53.12 48.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 179.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 41.7 mm -60.84 -38.39 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.88 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.8 tt -64.7 -48.7 73.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.05 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 14.4 m -63.76 -39.48 94.38 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.543 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.29 -45.55 94.01 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.054 0.454 . . . . 0.0 109.876 175.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.521 ' HA2' ' CZ ' ' A' ' 141' ' ' PHE . . . -54.74 -47.59 70.48 Favored Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.603 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.7 -41.44 98.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.884 0.374 . . . . 0.0 110.783 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.91 -43.66 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.432 -177.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.521 ' CZ ' ' HA2' ' A' ' 138' ' ' GLY . 3.0 p90 -88.63 -19.01 26.79 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 119.173 -1.011 . . . . 0.0 111.795 178.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 138' ' ' GLY . 10.9 tp10 -67.42 -44.13 79.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 7.4 p -70.16 -15.78 19.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.544 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 71' ' ' LYS . . . -78.9 -25.73 43.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.238 0.542 . . . . 0.0 110.134 178.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -98.5 -26.79 14.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.763 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.589 -0.719 . . . . 0.0 110.736 -179.381 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.6 15.31 14.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.028 0.442 . . . . 0.0 111.755 -178.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -69.05 -14.29 62.94 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.675 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.404 HD13 ' O ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -60.88 -25.4 35.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.565 179.782 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.23 -3.22 58.9 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.269 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -114.85 -13.42 11.99 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.581 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.2 p -91.28 109.43 20.7 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.732 176.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.439 ' HB2' HG13 ' A' ' 68' ' ' VAL . 72.0 m -113.26 111.99 22.97 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.004 -177.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.32 107.14 15.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.422 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -131.25 172.43 12.16 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 121.137 -0.225 . . . . 0.0 110.976 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 56.4 mttp -118.59 145.23 45.56 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.104 0.478 . . . . 0.0 110.809 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.09 167.2 23.29 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.227 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.72 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -95.98 115.97 28.23 Favored 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.5 119.48 14.73 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -177.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.481 ' HB3' HG13 ' A' ' 121' ' ' VAL . 25.5 tp -86.18 -50.73 6.77 Favored 'General case' 0 N--CA 1.436 -1.145 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.592 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.21 156.96 13.75 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 118.901 -1.619 . . . . 0.0 114.593 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.5 m -100.98 107.21 18.62 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.8 tpp -112.57 136.2 52.39 Favored 'General case' 0 C--N 1.31 -1.142 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.599 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 42.9 tp -85.04 130.57 34.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.007 0.432 . . . . 0.0 110.378 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.4 mm -102.09 138.14 27.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.193 -177.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -87.77 -54.47 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.231 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -110.94 124.35 51.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.217 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -83.65 100.98 11.19 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' A' ' 38' ' ' GLU . 8.0 ptp180 -136.26 83.7 2.03 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.78 -176.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 52.58 -135.42 37.72 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-N 115.541 -0.754 . . . . 0.0 113.401 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.3 t -89.96 -0.3 57.5 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.906 0.384 . . . . 0.0 110.925 -179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.408 ' HB3' ' HG3' ' A' ' 35' ' ' ARG . 6.8 tp10 -62.04 -42.4 99.14 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 m -62.81 -46.94 85.63 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.787 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.506 HG23 HD11 ' A' ' 108' ' ' ILE . 28.5 p -64.76 -34.93 79.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.758 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -73.08 -40.91 64.64 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.854 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 46' ' ' LYS . 14.6 t70 -55.93 -50.22 71.32 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 176.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.68 -57.38 13.18 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.927 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 98' ' ' ASP . 49.8 t -51.76 -56.73 12.12 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.496 -178.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.479 ' HA ' ' HG3' ' A' ' 48' ' ' ARG . . . -57.08 -42.73 81.2 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 120.891 0.377 . . . . 0.0 111.082 -179.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 16.8 ttmm -56.98 -50.02 73.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.891 -178.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -74.4 -42.87 58.51 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.479 ' HG3' ' HA ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -63.47 -23.33 67.35 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.879 -177.498 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.96 -42.47 5.32 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -95.95 -33.64 12.1 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -175.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 42.6 t -81.2 17.21 1.33 Allowed 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -174.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.435 ' C ' ' HG2' ' A' ' 58' ' ' MET . 11.8 pt20 -86.1 20.62 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.168 0.508 . . . . 0.0 110.754 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -158.25 31.45 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.092 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.5 m -113.84 86.29 2.38 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -172.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.7 m 66.91 -78.71 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 171.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -64.54 165.62 9.76 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 123.163 0.585 . . . . 0.0 111.971 -173.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -66.38 96.0 0.34 Allowed 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 176.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.435 ' HG2' ' C ' ' A' ' 52' ' ' GLN . 0.4 OUTLIER -50.89 -40.78 57.44 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 -174.562 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.5 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 0.9 OUTLIER -80.54 -5.3 56.53 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 120.568 -0.453 . . . . 0.0 112.126 -175.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -119.4 -49.46 2.37 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 121.069 -0.253 . . . . 0.0 111.116 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.72 HG23 ' HB1' ' A' ' 24' ' ' ALA . 0.0 OUTLIER 49.04 173.25 0.02 OUTLIER Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 124.716 1.207 . . . . 0.0 112.941 -177.737 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -66.23 103.93 0.69 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 121.569 1.513 . . . . 0.0 112.204 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.4 m -69.55 116.78 10.36 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.863 HD11 ' HB3' ' A' ' 75' ' ' PHE . 1.3 tt -108.93 147.09 13.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.82 -173.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.446 ' N ' HG12 ' A' ' 64' ' ' ILE . 3.3 mp -94.09 105.99 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 175.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.3 mt -89.45 103.05 15.72 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.779 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.509 ' HB3' ' O ' ' A' ' 74' ' ' LYS . 35.0 t -105.15 115.35 30.13 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 121.487 0.661 . . . . 0.0 110.324 178.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.439 HG13 ' HB2' ' A' ' 19' ' ' CYS . 5.3 p -120.82 138.5 51.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.561 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.135 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.6 m -140.87 -178.53 5.59 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.935 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.59 100.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.298 0.374 . . . . 0.0 111.228 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 144' ' ' ALA . 46.6 mmtm 72.25 1.86 4.11 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.907 0.883 . . . . 0.0 112.299 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.32 142.68 17.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.369 -0.92 . . . . 0.0 113.247 -176.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.529 ' HB ' ' O ' ' A' ' 87' ' ' HIS . 52.0 t -132.53 115.78 26.24 Favored 'Isoleucine or valine' 0 C--O 1.248 1.016 0 CA-C-O 121.231 0.539 . . . . 0.0 111.033 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 67' ' ' SER . 74.8 mmtt -128.33 98.29 5.02 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.803 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.863 ' HB3' HD11 ' A' ' 64' ' ' ILE . 20.7 m-30 -108.99 113.63 26.68 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.356 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.4 mp -120.82 149.26 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-O 120.877 0.37 . . . . 0.0 111.512 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.527 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 8.9 t70 -78.79 155.59 29.19 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 123.554 0.742 . . . . 0.0 111.045 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.25 -33.57 13.21 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 37.8 m -74.08 -54.34 8.03 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -175.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -107.59 -9.85 15.8 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.617 0.246 . . . . 0.0 110.812 -177.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 8.7 mtmp? 71.04 26.51 3.51 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.689 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -73.6 136.17 43.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.588 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.41 HD12 ' N ' ' A' ' 83' ' ' ILE . 3.9 mp -80.7 118.46 28.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.89 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.21 -48.29 19.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.824 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.492 ' HB1' ' CE1' ' A' ' 87' ' ' HIS . . . -139.73 113.28 8.49 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 120.452 -0.499 . . . . 0.0 112.26 -177.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -117.72 99.63 7.07 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.174 175.505 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.529 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 2.6 p-80 -166.78 165.53 16.25 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.305 -177.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.415 ' CD ' HH21 ' A' ' 90' ' ' ARG . 42.1 mt-10 -81.9 165.88 20.4 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 45.9 mt -64.38 -25.59 38.32 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-O 121.136 0.494 . . . . 0.0 109.883 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.415 HH21 ' CD ' ' A' ' 88' ' ' GLU . 0.1 OUTLIER -65.8 -13.05 58.74 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.325 177.739 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -86.68 -18.6 30.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.258 0.551 . . . . 0.0 109.764 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.426 ' HA ' HG22 ' A' ' 109' ' ' THR . 46.6 mt -84.25 114.4 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.326 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.2 m -86.73 -26.58 24.14 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.868 -175.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 18.2 t -161.82 161.04 28.88 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.653 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.01 136.43 25.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -151.47 -176.73 5.71 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.974 0.416 . . . . 0.0 111.428 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 11.2 pt20 -146.76 172.85 12.99 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.781 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.637 ' OD1' ' HG2' ' A' ' 100' ' ' GLU . 12.7 t70 -86.04 137.16 35.44 Favored Pre-proline 0 C--N 1.323 -0.582 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.797 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 32.1 Cg_exo -63.81 -38.83 36.95 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.128 2.552 . . . . 0.0 113.92 179.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.637 ' HG2' ' OD1' ' A' ' 98' ' ' ASP . 11.5 pt-20 -88.51 -35.72 16.82 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 120.877 0.37 . . . . 0.0 110.715 -176.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -110.64 103.59 12.18 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.164 0.507 . . . . 0.0 109.969 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 66.4 mt -80.65 5.48 15.46 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.564 -176.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.2 t -106.72 -0.25 23.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.157 0.504 . . . . 0.0 110.237 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 36.2 m -113.56 125.49 54.24 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.284 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 37.2 p90 -130.12 155.6 45.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.674 -178.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -148.58 134.71 19.27 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.536 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -120.27 148.73 43.34 Favored 'General case' 0 C--N 1.313 -1.006 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.013 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.506 HD11 HG23 ' A' ' 40' ' ' THR . 50.0 mt -112.41 127.49 69.59 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.665 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.426 HG22 ' HA ' ' A' ' 92' ' ' ILE . 3.6 p -111.31 -171.78 1.9 Allowed 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.667 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -132.86 124.92 28.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.032 176.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -111.79 121.04 44.0 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.004 0.431 . . . . 0.0 110.482 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -47.74 81.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.602 -0.727 . . . . 0.0 112.327 -174.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.548 ' H ' ' HD3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -80.83 2.25 27.18 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.114 -0.634 . . . . 0.0 112.38 -177.36 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.5 t -100.49 -34.53 9.89 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 66.24 14.96 9.92 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.369 -177.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.14 -169.52 2.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.625 178.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.446 ' HB3' ' CG2' ' A' ' 108' ' ' ILE . 93.3 m-70 -117.84 134.67 54.7 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 120.769 0.318 . . . . 0.0 111.225 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -98.04 127.05 43.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.456 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.1 t -100.5 112.98 25.41 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 177.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -97.14 106.54 18.89 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.481 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.5 p -104.52 130.57 55.18 Favored 'Isoleucine or valine' 0 C--O 1.248 0.979 0 CA-C-O 121.129 0.49 . . . . 0.0 111.247 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -129.08 144.01 51.05 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.54 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 33.3 p -103.63 110.23 22.22 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.9 164.85 25.78 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.482 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -96.96 2.14 51.21 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.958 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -155.37 134.84 12.5 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.492 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 87.1 t -64.08 -55.18 23.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.002 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.13 -37.94 81.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.073 -178.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.466 ' O ' HG13 ' A' ' 133' ' ' ILE . 3.1 tm? -63.84 -46.08 86.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.272 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.84 -49.99 75.55 Favored 'General case' 0 C--O 1.243 0.756 0 CA-C-O 121.099 0.476 . . . . 0.0 110.669 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.01 -34.5 74.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.773 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -73.2 -29.76 63.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.389 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 129' ' ' LEU . 64.4 mt -64.92 -46.09 92.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 174.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 44.7 mm -60.4 -39.56 81.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.122 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.231 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 14.5 tp -59.47 -47.32 85.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.91 177.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 43.5 m -58.27 -54.08 51.0 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.367 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 65.5 mt -56.1 -51.28 68.48 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 121.101 0.477 . . . . 0.0 110.956 177.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -55.81 -54.42 35.2 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.425 -0.807 . . . . 0.0 113.291 -177.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -65.81 -36.9 84.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.919 0.36 . . . . 0.0 111.454 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.01 -30.97 72.01 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.725 0.297 . . . . 0.0 111.132 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -88.52 -38.12 15.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.947 0.403 . . . . 0.0 110.804 177.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.27 -40.86 96.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.387 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.579 ' HA ' ' OE1' ' A' ' 146' ' ' GLN . 11.4 p -56.52 -20.54 11.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.428 ' HB2' ' HE3' ' A' ' 71' ' ' LYS . . . -74.61 -9.92 59.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.756 0.312 . . . . 0.0 111.33 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -90.31 -9.98 45.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.012 0.434 . . . . 0.0 111.049 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . 0.579 ' OE1' ' HA ' ' A' ' 143' ' ' VAL . 2.4 mp0 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.112 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.895 0.378 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -84.15 98.48 9.94 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.053 0.454 . . . . 0.0 110.197 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.71 -18.93 61.61 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.509 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.664 ' HA ' ' O ' ' A' ' 18' ' ' SER . 14.5 tt -65.8 -6.18 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 CA-C-O 121.092 0.472 . . . . 0.0 111.944 -178.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.51 -11.0 41.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.953 0.406 . . . . 0.0 110.681 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -130.5 -19.62 3.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.303 0.573 . . . . 0.0 111.193 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.664 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 9.6 m -143.31 161.66 37.75 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.79 -178.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.4 m -133.79 132.96 41.1 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 120.799 0.333 . . . . 0.0 110.805 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -102.72 115.17 30.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.369 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -127.06 121.97 33.04 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.472 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -84.33 106.86 16.26 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.165 0.507 . . . . 0.0 110.802 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -112.77 179.36 3.99 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.727 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.535 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -113.53 130.42 56.35 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 120.437 -0.505 . . . . 0.0 109.922 177.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.414 ' HA ' ' CD2' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -77.39 106.37 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.848 0.356 . . . . 0.0 110.424 -177.272 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.445 ' HB3' HG13 ' A' ' 121' ' ' VAL . 52.1 tp -79.21 -57.82 3.53 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.73 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.53 164.73 29.23 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 119.53 -1.319 . . . . 0.0 113.323 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.6 p -113.51 122.03 46.05 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -115.71 140.01 49.61 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-O 121.072 0.463 . . . . 0.0 111.023 -177.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -81.61 127.42 32.86 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.486 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.485 ' HB ' ' HB2' ' A' ' 117' ' ' HIS . 24.3 mm -106.22 119.5 55.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.276 -178.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -56.99 -57.39 12.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.366 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -138.88 153.64 48.31 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.152 0.501 . . . . 0.0 111.714 -177.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.38 115.56 29.52 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.01 -177.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -116.37 34.13 5.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.26 -146.77 20.44 Favored Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 -176.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.462 ' HB ' HE22 ' A' ' 41' ' ' GLN . 3.1 p -74.4 -0.62 17.89 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.239 0.542 . . . . 0.0 111.467 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -57.86 -45.66 85.99 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -66.21 -42.51 88.66 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.699 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.412 HG23 ' CD1' ' A' ' 108' ' ' ILE . 2.5 p -61.75 -54.24 45.19 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.085 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.462 HE22 ' HB ' ' A' ' 37' ' ' THR . 0.7 OUTLIER -66.32 -29.57 69.81 Favored 'General case' 0 C--O 1.216 -0.693 0 C-N-CA 120.681 -0.407 . . . . 0.0 111.428 -179.684 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.22 -62.58 1.73 Allowed 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.338 0.59 . . . . 0.0 109.878 176.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.17 -51.47 68.91 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.042 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.1 t -54.85 -52.81 61.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.681 -177.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.48 -38.86 91.48 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 121.144 -0.223 . . . . 0.0 111.404 -177.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -62.99 -50.39 70.93 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -71.86 -33.66 68.6 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.332 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 101' ' ' ASP . 1.0 OUTLIER -63.47 -44.95 92.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.179 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.46 -27.57 65.35 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.13 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -69.28 -44.86 70.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.644 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.2 p -73.92 -23.91 59.61 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.005 0.431 . . . . 0.0 110.721 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -76.84 -31.83 57.13 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 176.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -64.37 164.7 10.86 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.137 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.1 m -78.49 69.93 4.76 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.453 0.644 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.59 ' OG1' ' HB3' ' A' ' 58' ' ' MET . 7.8 p -107.49 117.75 34.91 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.34 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' HB2' ' OE1' ' A' ' 57' ' ' GLN . 6.1 mm-40 -74.79 -23.44 58.5 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.997 0.427 . . . . 0.0 110.923 -178.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.421 ' OE1' ' HB2' ' A' ' 56' ' ' GLU . 1.4 mp0 -95.07 -7.38 39.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.392 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.59 ' HB3' ' OG1' ' A' ' 55' ' ' THR . 30.2 tpp -119.7 49.23 1.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.264 0.554 . . . . 0.0 111.036 -176.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.51 ' O ' ' HD2' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -137.46 145.62 43.32 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.087 179.119 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? 62.05 94.65 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.094 0.558 . . . . 0.0 111.888 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.535 HG23 ' HB1' ' A' ' 24' ' ' ALA . 2.8 m -104.1 144.47 28.76 Favored Pre-proline 0 C--N 1.314 -0.938 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.456 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.56 155.07 64.04 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.064 2.509 . . . . 0.0 113.58 -177.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.2 m -77.77 147.32 35.37 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.479 -178.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.647 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -144.82 139.16 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.103 -179.247 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.4 mp -83.15 110.35 18.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.065 0.459 . . . . 0.0 111.221 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -84.72 92.91 8.32 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 174.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.8 t -98.03 99.51 10.79 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 121.671 0.748 . . . . 0.0 110.37 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.4 p -99.84 121.37 50.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 114.843 -1.072 . . . . 0.0 111.56 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.577 ' HB3' ' O ' ' A' ' 72' ' ' GLY . 32.4 t -128.22 150.52 49.99 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.556 177.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.67 -12.63 60.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.979 0.418 . . . . 0.0 110.784 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -110.77 11.18 22.59 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.02 179.311 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.577 ' O ' ' HB3' ' A' ' 69' ' ' SER . . . 148.09 139.77 3.25 Favored Glycine 0 C--O 1.223 -0.578 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.687 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.3 t -111.56 124.24 68.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-O 121.031 0.444 . . . . 0.0 109.912 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.472 ' HE2' HD11 ' A' ' 76' ' ' ILE . 21.4 ptmt -121.86 147.27 46.2 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.438 -177.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.647 ' HB3' HD11 ' A' ' 64' ' ' ILE . 3.4 m-85 -124.94 121.65 35.07 Favored 'General case' 0 C--O 1.247 0.965 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.74 -177.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.472 HD11 ' HE2' ' A' ' 74' ' ' LYS . 2.4 mp -128.29 143.21 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.392 -178.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.3 145.18 42.02 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.089 0.471 . . . . 0.0 111.058 178.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.77 -24.06 19.53 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -177.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.1 p -75.97 -52.92 9.22 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -174.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -116.32 3.24 13.34 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.428 -0.17 . . . . 0.0 111.085 -176.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt 67.12 32.82 5.95 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.976 0.893 . . . . 0.0 109.143 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -76.95 125.61 29.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.049 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.686 HD13 ' H ' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -75.81 123.6 32.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-O 121.003 0.43 . . . . 0.0 110.438 179.012 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.459 ' HB ' ' O ' ' A' ' 75' ' ' PHE . 1.8 mp -82.52 -58.99 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 175.13 166.61 0.3 Allowed 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.041 0.448 . . . . 0.0 111.62 178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.86 129.57 36.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.35 175.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -136.42 148.1 47.6 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -71.36 148.22 47.23 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.238 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.5 tp -60.45 -34.48 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.282 0.563 . . . . 0.0 110.598 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 46.7 ttp85 -64.44 -13.98 54.44 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.019 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.578 ' ND2' ' HB ' ' A' ' 109' ' ' THR . 9.6 t30 -91.84 -16.47 26.7 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.484 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.1 mt -78.49 105.02 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.9 t -75.31 -29.62 60.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.257 -174.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.0 t -154.66 140.2 17.87 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.032 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.53 106.23 8.38 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.36 -174.06 3.29 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 120.823 0.344 . . . . 0.0 110.923 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 5.0 pm0 -146.63 177.93 8.69 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.159 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.448 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 14.2 t70 -70.26 139.61 87.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -57.47 -35.31 98.86 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.912 2.408 . . . . 0.0 113.518 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -114.49 -28.11 7.3 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 10.4 t70 -96.51 99.92 11.54 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.156 0.503 . . . . 0.0 110.491 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 94.5 mt -81.04 15.12 1.96 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.462 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.8 t -115.15 4.92 14.7 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.2 m -125.94 126.06 43.76 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.883 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 122' ' ' PHE . 43.1 p90 -125.91 152.72 45.22 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.151 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -143.73 122.23 12.45 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.476 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 49.1 p90 -114.16 146.24 40.6 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.328 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.412 ' CD1' HG23 ' A' ' 40' ' ' THR . 52.3 mt -115.13 127.93 72.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.794 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.578 ' HB ' ' ND2' ' A' ' 91' ' ' ASN . 80.9 p -108.13 144.04 36.08 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.086 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -114.54 70.64 0.74 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.618 0.723 . . . . 0.0 109.459 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.445 ' HA ' ' OD1' ' A' ' 91' ' ' ASN . 6.9 m-20 -72.64 127.45 32.6 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.326 -179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.46 -20.95 64.65 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.274 0.559 . . . . 0.0 109.654 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -75.34 -23.72 57.25 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.088 176.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.3 t -97.04 -41.31 8.43 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.972 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 40.5 t30 72.94 -46.26 0.64 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.608 0.763 . . . . 0.0 110.355 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -82.54 145.17 29.9 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.681 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.485 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 52.4 m80 -71.42 129.01 37.74 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 -178.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.1 119.98 38.26 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.864 0.364 . . . . 0.0 111.262 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 49.4 t -107.35 119.4 39.29 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 44.2 m-70 -106.99 116.71 32.4 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.445 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.1 p -106.31 132.76 52.66 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 CA-C-O 121.255 0.55 . . . . 0.0 110.831 -178.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 65.9 m-85 -129.92 141.83 50.73 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.889 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 81.7 p -103.07 118.13 36.11 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.56 161.37 26.0 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.408 ' CE1' ' HB2' ' A' ' 24' ' ' ALA . 30.5 m-85 -90.71 -2.69 57.81 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 120.762 0.315 . . . . 0.0 110.69 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -155.57 148.0 23.87 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.487 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 66.0 t -61.26 -41.59 90.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.026 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 132' ' ' GLU . 3.5 t-20 -65.73 -41.4 92.28 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.488 ' O ' HG13 ' A' ' 133' ' ' ILE . 2.0 tm? -57.19 -49.21 76.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.988 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.08 -49.02 73.91 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.319 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.93 86.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.029 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 7.8 tp10 -63.27 -42.5 99.14 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.74 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 129' ' ' LEU . 60.8 mt -61.7 -48.28 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.165 177.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 27.1 mm -56.02 -45.35 80.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.36 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 139' ' ' GLN . 10.1 tt -63.1 -49.48 74.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.464 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 16.8 m -61.49 -42.81 99.36 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.016 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 88.7 mt -59.6 -45.76 90.94 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.715 0.293 . . . . 0.0 110.348 177.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.21 -46.74 93.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.016 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 14.0 mm100 -60.28 -45.5 93.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.312 . . . . 0.0 110.679 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.92 -37.64 86.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.465 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -70.01 -47.02 63.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.176 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -74.1 -29.04 61.65 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -177.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.9 p -69.22 -26.95 32.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 120.186 -0.606 . . . . 0.0 110.023 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -91.43 -13.04 33.03 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.946 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -81.42 -36.94 28.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.001 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 . . . . . 0 C--O 1.254 1.305 0 CA-C-O 118.677 -0.678 . . . . 0.0 110.351 179.38 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 120.868 0.366 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.482 ' HG3' HG23 ' A' ' 15' ' ' ILE . 38.7 tptt -104.9 141.83 35.84 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.489 HD13 ' H ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -115.34 26.85 9.77 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -175.636 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.483 HD13 ' H ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -62.56 -25.14 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -178.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -102.58 -19.31 14.89 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.316 0.579 . . . . 0.0 110.126 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -86.5 -15.49 39.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.301 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.7 p -90.98 136.97 32.72 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.707 177.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.769 ' HB3' HG13 ' A' ' 68' ' ' VAL . 41.9 t -89.75 96.48 10.71 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.621 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.75 99.77 8.65 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.216 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.416 ' HE2' ' HG ' ' A' ' 19' ' ' CYS . 87.6 m-85 -140.77 178.35 7.4 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.54 106.46 17.16 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 120.99 0.424 . . . . 0.0 110.975 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.52 177.34 5.97 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.572 ' HB3' HG23 ' A' ' 123' ' ' THR . . . -116.5 124.41 49.83 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.075 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.577 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 13.8 t80 -78.79 105.45 10.1 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.804 -177.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.425 ' HB3' HG13 ' A' ' 121' ' ' VAL . 33.1 tp -88.1 -52.79 5.05 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.632 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.62 163.04 22.99 Favored Glycine 0 C--N 1.34 0.777 0 C-N-CA 119.215 -1.469 . . . . 0.0 114.199 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -114.69 109.03 17.59 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -116.92 132.69 56.64 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.803 0.335 . . . . 0.0 111.838 -176.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 116' ' ' HIS . 21.7 tp -80.72 129.74 34.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.529 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.404 HG21 ' HB3' ' A' ' 39' ' ' SER . 18.7 mm -109.37 142.42 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.531 -178.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.47 -54.44 28.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.532 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -135.56 138.72 43.29 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.05 0.452 . . . . 0.0 110.3 178.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.2 mm? -104.54 101.04 10.71 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.628 -178.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.405 ' HG3' ' HB3' ' A' ' 38' ' ' GLU . 14.6 ptp180 -111.76 88.07 2.71 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.868 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.17 -142.26 45.84 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.596 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.6 t -91.09 2.89 55.99 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.192 0.52 . . . . 0.0 110.632 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' HB3' ' HG3' ' A' ' 35' ' ' ARG . 8.2 tp10 -65.62 -45.38 83.32 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.404 ' HB3' HG21 ' A' ' 31' ' ' ILE . 25.1 m -66.59 -39.38 88.38 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.208 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.3 p -66.46 -43.42 85.56 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.016 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -67.93 -34.39 76.52 Favored 'General case' 0 CA--C 1.523 -0.094 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -57.47 -55.26 37.11 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.785 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 46' ' ' LYS . . . -65.05 -42.03 94.62 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.684 179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.0 t -54.23 -55.19 30.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.525 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.49 78.91 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.858 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 43' ' ' ALA . 62.3 tttp -54.22 -60.03 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.753 178.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -76.14 -29.16 57.68 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.41 HH12 ' CG ' ' A' ' 98' ' ' ASP . 53.1 ttp180 -68.43 -25.86 65.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.976 0.417 . . . . 0.0 110.578 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.35 -31.66 14.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.005 0.431 . . . . 0.0 110.496 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -85.91 -4.73 59.24 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.258 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.515 ' HB2' ' HG2' ' A' ' 58' ' ' MET . 31.8 p -51.94 -30.17 23.44 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.592 0.589 . . . . 0.0 112.592 -178.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -65.95 -13.49 59.86 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.95 85.61 1.1 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.994 0.426 . . . . 0.0 111.08 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.6 t -153.23 98.23 2.25 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.9 m 68.55 -76.52 0.06 Allowed 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -113.72 173.21 6.53 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -64.16 124.12 20.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 173.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.773 ' SD ' HG12 ' A' ' 61' ' ' VAL . 21.5 tpp -76.57 -84.95 0.06 Allowed 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -171.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm 63.12 -78.16 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 122.981 0.512 . . . . 0.0 111.481 -176.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.586 ' O ' HG22 ' A' ' 61' ' ' VAL . 20.6 ttmm -137.52 15.74 2.94 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.829 0.347 . . . . 0.0 110.138 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.773 HG12 ' SD ' ' A' ' 58' ' ' MET . 1.5 m 59.07 170.99 0.06 OUTLIER Pre-proline 0 N--CA 1.493 1.699 0 C-N-CA 124.615 1.166 . . . . 0.0 112.103 176.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.645 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 36.6 Cg_endo -69.63 146.71 61.85 Favored 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 121.648 1.566 . . . . 0.0 112.051 177.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.7 m -88.71 133.82 34.1 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.212 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -123.71 123.22 66.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.12 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.428 HG13 ' HB2' ' A' ' 78' ' ' ALA . 45.6 mt -70.61 107.2 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 177.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.34 104.39 16.95 Favored 'General case' 0 N--CA 1.424 -1.745 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.267 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m -108.18 89.69 3.07 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.32 0.581 . . . . 0.0 109.814 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.769 HG13 ' HB3' ' A' ' 19' ' ' CYS . 5.5 p -104.3 118.62 51.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-O 121.496 0.665 . . . . 0.0 111.54 -178.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.8 t -123.67 163.63 20.7 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.364 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.08 116.68 4.36 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.741 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.434 ' HA ' ' HB ' ' A' ' 89' ' ' ILE . 98.5 mttt 72.97 10.74 5.31 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.52 -0.764 . . . . 0.0 112.832 178.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -158.78 117.33 0.77 Allowed Glycine 0 CA--C 1.511 -0.176 0 C-N-CA 119.832 -1.175 . . . . 0.0 112.66 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.514 HG22 HG23 ' A' ' 68' ' ' VAL . 12.5 t -119.95 130.71 73.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.242 0.544 . . . . 0.0 111.458 -178.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.445 ' HD2' HD11 ' A' ' 76' ' ' ILE . 20.7 ttmm -122.16 132.21 54.34 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.884 -178.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.453 ' HB3' HD11 ' A' ' 64' ' ' ILE . 6.9 m-85 -121.23 112.16 18.29 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.486 ' O ' HG12 ' A' ' 64' ' ' ILE . 2.0 mp -117.12 143.84 26.4 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.311 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.543 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 6.5 t70 -80.35 134.19 36.01 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.428 ' HB2' HG13 ' A' ' 65' ' ' ILE . . . -93.09 -15.71 25.77 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.147 0.499 . . . . 0.0 110.532 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -70.16 -52.84 20.33 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.951 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 25.2 t-20 -119.72 -3.92 10.27 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.926 -177.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 28.2 mtpp 72.83 35.72 0.99 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.299 0.64 . . . . 0.0 110.869 -177.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -81.25 127.39 32.65 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.597 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.0 mp -74.96 99.69 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 175.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.497 HD11 ' HB2' ' A' ' 77' ' ' ASP . 77.4 mt -73.25 -59.26 3.55 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.671 -175.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -163.14 157.21 20.3 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.106 -0.637 . . . . 0.0 112.089 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -149.73 124.1 9.61 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -146.6 158.62 43.93 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.04 0.447 . . . . 0.0 111.751 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.63 167.06 22.5 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.241 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.435 HG12 ' HA ' ' A' ' 141' ' ' PHE . 9.7 tp -59.59 -31.17 46.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -176.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -15.58 62.31 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -78.25 -20.34 51.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.311 0.577 . . . . 0.0 109.791 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.7 mt -98.63 125.91 51.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 28.5 p -99.17 -30.76 12.1 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.548 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 35.8 t -153.97 158.07 40.1 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.386 -0.525 . . . . 0.0 111.123 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.87 116.1 7.96 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.29 133.87 35.48 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.393 -0.523 . . . . 0.0 112.052 -177.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.426 ' HB3' HG13 ' A' ' 134' ' ' ILE . 13.1 pt20 -85.37 151.97 23.61 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.516 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 20.9 t70 -65.65 122.42 80.44 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.625 0.25 . . . . 0.0 110.543 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 52.0 Cg_exo -54.05 -45.26 42.31 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 123.275 2.65 . . . . 0.0 114.256 -177.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -84.13 -38.67 20.42 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -175.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.516 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 19.4 t70 -121.63 104.04 9.33 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.026 0.441 . . . . 0.0 110.084 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 71.5 mt -77.62 7.02 6.15 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -175.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.9 m -96.45 10.85 36.98 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.444 0.64 . . . . 0.0 110.462 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 123' ' ' THR . 9.7 t -145.63 148.82 33.51 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.071 178.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.425 ' HB2' HD11 ' A' ' 134' ' ' ILE . 52.2 p90 -148.25 159.98 43.42 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.042 0.449 . . . . 0.0 111.675 -176.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -141.24 127.83 20.16 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.521 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -112.53 143.9 42.91 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.098 0.475 . . . . 0.0 110.278 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 47.6 mt -96.65 126.47 49.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.142 -178.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.14 145.9 48.99 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.03 -178.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -94.87 94.81 8.26 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -72.8 97.53 2.24 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.498 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.428 HD23 ' H ' ' A' ' 112' ' ' LEU . 2.4 pt? -62.98 -13.26 32.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.569 -0.742 . . . . 0.0 112.241 -177.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -82.39 -25.94 33.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.783 0.325 . . . . 0.0 110.685 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.5 p -115.28 -8.08 12.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.15 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.1 t30 62.79 27.44 16.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.454 0.702 . . . . 0.0 110.729 178.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.554 ' HB3' HD11 ' A' ' 30' ' ' LEU . 64.2 m80 -135.76 165.69 25.0 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -95.7 117.46 30.54 Favored 'General case' 0 C--O 1.254 1.291 0 CA-C-O 121.906 0.86 . . . . 0.0 112.178 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 30' ' ' LEU . 16.2 m-85 -102.67 132.87 48.5 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 114.68 -1.145 . . . . 0.0 110.959 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 49.9 t -92.61 105.83 17.92 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -93.57 108.16 19.91 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.425 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.3 p -101.42 132.55 47.02 Favored 'Isoleucine or valine' 0 C--O 1.25 1.087 0 CA-C-O 121.393 0.616 . . . . 0.0 111.893 -176.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.577 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 10.7 m-85 -129.98 146.53 51.67 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.642 178.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.572 HG23 ' HB3' ' A' ' 24' ' ' ALA . 3.0 t -112.76 164.5 13.3 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 175.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -122.34 164.12 18.51 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-O 121.265 0.555 . . . . 0.0 112.138 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -85.06 -16.51 40.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.278 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -143.65 139.32 29.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.759 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 8.0 p -62.51 -39.8 85.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -177.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 132' ' ' GLU . 9.4 t30 -71.06 -35.03 71.75 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.92 -41.64 96.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.441 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.21 -52.27 65.51 Favored 'General case' 0 C--O 1.249 1.073 0 CA-C-O 121.127 0.489 . . . . 0.0 110.177 177.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.09 -31.78 73.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.251 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 1.3 tp10 -65.26 -45.45 84.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.227 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.29 -47.8 91.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.406 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.426 HG13 ' HB3' ' A' ' 97' ' ' GLN . 21.7 mm -60.0 -42.64 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 120.859 0.362 . . . . 0.0 110.753 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.25 -44.07 97.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.303 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 25.0 m -64.67 -40.55 95.59 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.559 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 77.2 mt -60.29 -47.03 87.76 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.287 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.51 -46.32 94.13 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.004 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -60.47 -43.31 97.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.003 0.43 . . . . 0.0 110.473 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.61 -29.64 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.078 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.435 ' HA ' HG12 ' A' ' 89' ' ' ILE . 78.3 t80 -77.61 -45.33 25.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.168 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.65 ' HA ' ' CE2' ' A' ' 145' ' ' TYR . 14.5 pt-20 -70.11 -37.52 75.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.768 -177.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 6.4 p -67.57 -4.74 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 121.035 0.445 . . . . 0.0 111.402 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -82.66 -26.47 32.1 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.367 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.65 ' CE2' ' HA ' ' A' ' 142' ' ' GLU . 42.9 p90 -115.07 -19.66 10.79 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . 0.599 ' HG3' ' O ' ' A' ' 142' ' ' GLU . 4.7 pp0? . . . . . 0 C--O 1.247 0.955 0 CA-C-O 119.07 -0.49 . . . . 0.0 110.625 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -83.45 135.89 34.51 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 15' ' ' ILE . 3.8 pp -61.0 -23.63 65.53 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -175.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 14' ' ' LEU . 12.8 tt -57.17 -17.78 6.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-O 121.032 0.444 . . . . 0.0 111.93 -179.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.98 -25.75 61.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.938 0.399 . . . . 0.0 111.17 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -132.9 3.68 3.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.606 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.567 ' OG ' ' HB2' ' A' ' 69' ' ' SER . 1.3 m -136.53 155.84 49.4 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.15 -178.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.0 t -109.59 142.1 41.16 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -102.45 109.91 21.7 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.43 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.449 ' CD2' HG12 ' A' ' 133' ' ' ILE . 69.5 m-85 -118.67 138.39 52.65 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 122.339 -0.225 . . . . 0.0 111.253 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -101.38 114.42 28.39 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 175.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.45 172.82 8.42 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.847 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.539 ' HB3' HG23 ' A' ' 123' ' ' THR . . . -97.81 122.13 40.55 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.481 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 1.0 OUTLIER -74.05 93.51 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.619 -177.681 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.1 tp -73.33 -55.61 6.17 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.04 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.46 160.0 21.07 Favored Glycine 0 N--CA 1.44 -1.091 0 C-N-CA 119.535 -1.316 . . . . 0.0 113.549 176.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.2 m -120.18 98.32 6.01 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -97.34 139.54 33.13 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.492 -173.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.417 HD13 ' CE2' ' A' ' 118' ' ' TYR . 20.1 tp -88.45 119.94 29.35 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.452 -177.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.466 HD11 ' SG ' ' A' ' 119' ' ' CYS . 22.0 mm -102.09 143.8 14.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.926 -177.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -83.96 -64.82 1.09 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.553 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -112.23 133.64 54.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.77 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -92.29 132.44 36.7 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.398 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -146.5 84.77 1.63 Allowed 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 121.382 0.61 . . . . 0.0 110.826 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 55.44 -142.08 37.29 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.056 -0.975 . . . . 0.0 112.894 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -90.12 4.56 50.03 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.785 0.326 . . . . 0.0 110.685 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -69.99 -36.26 75.03 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 m -63.8 -45.99 87.2 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 121.184 0.516 . . . . 0.0 110.391 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.7 p -67.31 -38.43 84.93 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.786 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -69.57 -37.88 77.17 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.283 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 18.2 t70 -56.63 -50.15 72.88 Favored 'General case' 0 C--O 1.25 1.113 0 CA-C-O 121.434 0.635 . . . . 0.0 109.291 176.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.03 65.67 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.799 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.3 t -55.83 -45.82 78.27 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.954 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.87 -47.52 84.64 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.996 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 2.3 ptpp? -66.43 -48.17 70.87 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.133 -0.627 . . . . 0.0 112.354 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -69.09 -33.05 72.91 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.863 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.415 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 17.9 ttm180 -62.99 -45.61 91.61 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -63.68 -37.27 86.7 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.851 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.548 ' HB3' ' SD ' ' A' ' 58' ' ' MET . 5.2 m-20 -69.32 -41.5 76.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.318 178.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.54 -38.51 87.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.806 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 14.3 pt20 -90.0 16.86 7.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.261 0.553 . . . . 0.0 110.394 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 23.2 ttmm -124.29 24.85 7.93 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.8 t -53.76 113.98 1.39 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.27 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 29.9 m -116.62 -72.9 0.67 Allowed 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.611 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -95.67 -40.17 9.53 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -133.84 -160.78 1.08 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.35 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.548 ' SD ' ' HB3' ' A' ' 50' ' ' ASN . 62.9 mtm 63.41 27.13 15.17 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.14 0.495 . . . . 0.0 110.43 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -69.25 -70.88 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.005 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -141.66 119.4 11.8 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.449 177.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.463 HG23 ' HB1' ' A' ' 24' ' ' ALA . 33.3 m -69.91 149.16 96.5 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.813 -179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.45 153.79 76.69 Favored 'Trans proline' 0 C--O 1.243 0.732 0 C-N-CA 122.633 2.222 . . . . 0.0 112.667 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.6 m -81.15 132.56 35.36 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.506 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.545 HD11 ' HB3' ' A' ' 75' ' ' PHE . 1.3 tt -116.83 142.83 28.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.17 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.448 HG13 ' HB2' ' A' ' 78' ' ' ALA . 54.2 mt -95.52 100.92 11.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 CA-C-O 121.574 0.702 . . . . 0.0 109.519 176.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 90.4 mt -81.08 101.31 9.52 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.675 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.498 ' HB2' ' HB3' ' A' ' 74' ' ' LYS . 5.5 m -93.41 105.55 17.6 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.2 p -110.88 126.7 68.26 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -174.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.567 ' HB2' ' OG ' ' A' ' 18' ' ' SER . 42.1 t -129.6 153.21 48.29 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.792 178.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.32 -12.27 60.81 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.953 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -104.84 -7.23 19.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.326 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.06 172.28 32.32 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 119.73 -1.224 . . . . 0.0 112.635 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.6 m -128.0 146.04 34.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-O 121.205 0.526 . . . . 0.0 111.434 -178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.509 ' HD3' ' HB3' ' A' ' 86' ' ' GLU . 5.5 tppt? -132.22 109.59 10.04 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.195 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.545 ' HB3' HD11 ' A' ' 64' ' ' ILE . 10.5 m-85 -98.22 105.33 17.46 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -178.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.465 HD11 ' HG2' ' A' ' 74' ' ' LYS . 13.0 mt -116.37 142.59 29.27 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.017 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.115 -177.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.622 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 1.2 t70 -78.12 148.89 33.97 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.448 ' HB2' HG13 ' A' ' 65' ' ' ILE . . . -94.69 -19.33 20.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.815 0.34 . . . . 0.0 111.743 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 m -71.08 -56.57 5.85 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.173 0.511 . . . . 0.0 111.689 -176.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 51.4 t30 -113.97 -6.2 13.16 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.967 -177.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.622 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 14.1 mptt 70.7 33.59 2.26 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.815 -176.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -70.04 127.53 33.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.725 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.5 mp -77.43 95.34 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 175.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.492 HD11 ' HB2' ' A' ' 77' ' ' ASP . 59.7 mt -70.14 -56.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 114.92 -1.037 . . . . 0.0 111.062 -176.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -165.72 142.98 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.586 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.509 ' HB3' ' HD3' ' A' ' 74' ' ' LYS . 13.5 pt-20 -136.59 136.72 39.47 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -144.05 164.27 31.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.432 -177.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -75.24 163.67 27.26 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.55 177.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.5 tp -62.46 -29.8 47.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.402 0.62 . . . . 0.0 109.562 177.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 90' ' ' ARG . 42.8 mtm180 -64.82 -12.97 54.04 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.521 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.421 ' OD1' ' HB ' ' A' ' 109' ' ' THR . 0.0 OUTLIER -84.75 -23.45 29.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.71 0.29 . . . . 0.0 110.894 -179.576 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 10.4 mt -79.03 126.8 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -106.41 -33.88 7.59 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.726 -176.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 38.8 t -158.14 163.02 37.99 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.755 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -140.17 116.32 10.5 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.962 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -127.07 176.67 7.18 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.777 0.322 . . . . 0.0 110.674 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.514 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 13.9 pt20 -142.43 174.63 10.45 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.202 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.43 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 12.9 t70 -87.44 133.2 38.85 Favored Pre-proline 0 C--N 1.318 -0.784 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.01 -41.35 7.66 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.889 2.393 . . . . 0.0 113.627 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.31 -40.38 14.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.785 0.326 . . . . 0.0 111.546 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 10.7 t70 -103.91 93.97 5.16 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 121.29 0.567 . . . . 0.0 109.546 178.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.4 mt -71.1 -2.6 16.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.88 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t -100.69 9.28 42.64 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-O 121.028 0.442 . . . . 0.0 109.991 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 123' ' ' THR . 63.6 m -129.91 139.24 51.17 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.931 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.514 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 42.8 p90 -140.4 163.88 31.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.905 0.384 . . . . 0.0 111.93 -177.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 120' ' ' HIS . . . -151.47 117.72 5.61 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.684 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -112.59 145.33 40.54 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.051 0.453 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 69.3 mt -93.2 123.88 45.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.363 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.421 ' HB ' ' OD1' ' A' ' 91' ' ' ASN . 2.4 p -123.82 147.48 47.55 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 114.843 -1.072 . . . . 0.0 109.454 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.437 ' O ' ' HD2' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -130.74 126.0 35.3 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 121.281 0.563 . . . . 0.0 112.352 -179.371 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -111.78 118.27 35.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.573 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.84 -27.32 68.69 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.972 -176.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -77.12 -17.02 58.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.396 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 115' ' ' ASN . 50.7 m -101.7 -7.3 22.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' A' ' 114' ' ' SER . 28.3 t30 72.63 -58.73 0.59 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.902 0.481 . . . . 0.0 112.167 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -83.41 174.43 10.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.083 0.468 . . . . 0.0 111.578 -178.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -105.08 140.37 38.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.401 -177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.417 ' CE2' HD13 ' A' ' 30' ' ' LEU . 96.0 m-85 -102.58 129.34 49.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.909 -178.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.466 ' SG ' HD11 ' A' ' 31' ' ' ILE . 27.0 p -98.24 112.75 24.63 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 174.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' A' ' 106' ' ' ALA . 19.8 m80 -89.97 104.12 16.72 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.187 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 8.8 p -104.26 121.0 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 CA-C-O 121.787 0.804 . . . . 0.0 110.478 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.481 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 94.0 m-85 -129.57 140.92 51.08 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.66 -179.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.539 HG23 ' HB3' ' A' ' 24' ' ' ALA . 3.5 t -111.8 128.59 56.15 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.318 0.58 . . . . 0.0 109.819 178.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.21 161.21 15.16 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.365 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -87.14 -13.02 45.28 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.373 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -139.56 142.61 37.16 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.291 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.69 -40.6 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.398 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -62.87 -39.78 95.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.426 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -61.97 -46.24 90.12 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.07 90.58 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.352 178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.55 -41.15 98.45 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.015 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -59.14 -45.04 91.99 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.949 0.404 . . . . 0.0 110.944 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.449 HG12 ' CD2' ' A' ' 21' ' ' TYR . 52.8 mt -62.47 -48.12 89.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.644 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.426 HD11 ' HB2' ' A' ' 105' ' ' PHE . 43.4 mm -62.45 -40.42 88.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.612 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.16 -48.59 81.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.997 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 24.8 m -64.51 -44.04 92.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.001 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.02 -46.37 91.0 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.863 0.363 . . . . 0.0 110.779 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.72 -41.16 99.87 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 121.064 -0.588 . . . . 0.0 111.947 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -67.34 -41.82 84.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.792 0.33 . . . . 0.0 110.562 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.19 -47.83 84.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.758 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -66.55 -37.43 84.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.055 0.455 . . . . 0.0 110.484 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.25 -49.5 71.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.922 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.68 -18.69 21.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.953 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -71.49 -32.77 68.63 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.925 0.393 . . . . 0.0 110.715 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -91.48 -23.52 19.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.365 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.128 -179.716 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 pptp? -161.34 130.66 4.67 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.174 178.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.2 mt -140.14 149.72 43.36 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.474 ' HA ' ' O ' ' A' ' 18' ' ' SER . 58.6 mt -66.03 88.92 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-O 121.36 0.6 . . . . 0.0 110.221 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 172.81 -45.74 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 125.051 1.341 . . . . 0.0 107.833 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -105.85 -18.12 14.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.35 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.474 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 57.8 p -138.78 146.33 41.23 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.832 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.9 t -118.48 131.23 56.26 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -106.97 129.85 54.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -136.71 157.48 46.66 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.378 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -107.92 106.48 16.76 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.76 168.24 9.56 Favored 'General case' 0 C--N 1.311 -1.082 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.614 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -106.66 121.05 43.57 Favored 'General case' 0 C--N 1.305 -1.362 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.005 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.437 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -68.52 101.73 1.32 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -177.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.2 tp -84.73 -55.24 4.21 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.002 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.71 165.24 37.61 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 119.272 -1.442 . . . . 0.0 114.012 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.2 p -132.39 110.61 10.67 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 176.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -103.82 139.76 38.58 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.562 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.443 HD23 ' CZ ' ' A' ' 118' ' ' TYR . 2.5 tm? -84.87 125.62 32.78 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.382 177.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.513 HG21 ' HB3' ' A' ' 34' ' ' LEU . 14.7 mm -104.84 121.18 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.561 179.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -64.35 -54.62 30.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.008 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -140.25 134.47 31.11 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.234 -0.894 . . . . 0.0 108.879 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.513 ' HB3' HG21 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -133.45 148.86 51.77 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -174.575 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 38.3 mtp85 -141.72 108.32 5.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.026 176.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.22 -129.11 25.86 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.186 -0.53 . . . . 0.0 113.712 177.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.6 t -105.87 8.58 32.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.929 0.395 . . . . 0.0 111.595 -176.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.3 -47.7 81.19 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.68 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 m -69.3 -37.06 77.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.131 -177.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.512 HG23 HD11 ' A' ' 108' ' ' ILE . 7.3 p -64.08 -49.22 73.12 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 110.36 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.66 -33.45 74.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.641 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -59.02 -50.76 72.88 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.004 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.04 -51.67 67.05 Favored 'General case' 0 C--O 1.216 -0.676 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.853 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 72.6 m -51.93 -51.23 58.43 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.394 0.433 . . . . 0.0 111.712 -178.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.09 -55.62 20.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.975 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -62.6 -42.47 99.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.975 0.417 . . . . 0.0 111.424 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.5 ttp -64.67 -45.3 87.3 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.687 -178.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -67.18 -32.92 74.33 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 119.775 -0.77 . . . . 0.0 110.34 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.535 ' HA ' HE21 ' A' ' 52' ' ' GLN . . . -66.74 -34.21 77.34 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-O 121.17 0.51 . . . . 0.0 110.234 177.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -76.75 -41.47 44.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.212 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 49.5 t -64.93 -45.23 86.7 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.61 -178.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.74 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 29.6 pt20 -66.29 118.28 9.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.49 0.662 . . . . 0.0 110.391 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -164.3 171.62 14.62 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -176.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.8 m -91.26 25.58 2.49 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.358 0.599 . . . . 0.0 109.687 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.1 m -99.86 -78.68 0.5 Allowed 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.346 -175.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -94.29 -176.77 4.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.56 -175.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -99.59 89.29 4.09 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.74 ' SD ' ' HA ' ' A' ' 52' ' ' GLN . 0.1 OUTLIER -61.48 157.5 16.9 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.396 -178.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? 75.91 -37.55 0.32 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.807 0.843 . . . . 0.0 110.723 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -83.78 81.18 8.87 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.614 HG23 ' HB1' ' A' ' 24' ' ' ALA . 20.4 m -125.25 161.85 47.46 Favored Pre-proline 0 C--N 1.309 -1.187 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.075 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.517 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 30.5 Cg_exo -38.39 118.72 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 C-N-CA 123.79 2.993 . . . . 0.0 113.98 -179.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.5 m -77.01 132.07 38.77 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.528 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.617 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -128.34 136.2 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.118 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.465 -178.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 65.8 mt -84.49 114.31 24.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.491 0.662 . . . . 0.0 111.224 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.485 HD21 ' CD2' ' A' ' 122' ' ' PHE . 1.5 mm? -84.76 103.93 14.28 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.54 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.494 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 20.1 m -105.28 99.79 9.39 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 176.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.3 p -103.75 129.71 55.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.593 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.062 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 18' ' ' SER . 32.3 t -146.68 153.81 40.71 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.33 -8.78 56.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.261 0.553 . . . . 0.0 109.958 177.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -98.81 4.78 47.67 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.128 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 135.44 161.05 9.18 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.637 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.0 m -119.34 138.96 48.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-O 121.164 0.507 . . . . 0.0 110.705 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.494 ' HG3' ' HB2' ' A' ' 67' ' ' SER . 15.0 ptpt -138.47 136.28 36.02 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.477 0.656 . . . . 0.0 110.956 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.617 ' HB3' HD11 ' A' ' 64' ' ' ILE . 11.7 m-85 -117.41 104.75 11.42 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.347 -176.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.3 mp -110.46 147.6 14.53 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.179 -176.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.595 ' HB3' ' H ' ' A' ' 82' ' ' ASN . 12.4 t70 -64.38 149.86 47.47 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.15 -26.59 17.35 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -100.94 -34.84 9.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.051 0.453 . . . . 0.0 111.333 -177.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -100.63 -21.13 15.36 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.151 0.501 . . . . 0.0 110.157 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 24.6 ttpp 63.75 29.91 14.76 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.319 -179.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.595 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 26.2 t-20 -79.49 134.07 36.51 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.364 178.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.3 tp -72.02 95.08 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.92 0.867 . . . . 0.0 109.815 176.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 91.6 mt -72.75 -55.32 13.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.892 -175.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.85 142.07 19.44 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.696 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -142.78 142.96 31.99 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.086 0.47 . . . . 0.0 110.389 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -150.82 163.54 38.38 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -71.71 155.13 40.82 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 6.1 tp -60.22 -36.01 65.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-O 121.141 0.496 . . . . 0.0 110.867 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -70.21 -8.76 52.52 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.089 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 110' ' ' LYS . 27.9 t-20 -78.23 -21.66 49.61 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.968 0.414 . . . . 0.0 110.121 178.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.7 mt -76.44 116.79 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.2 p -89.68 -28.53 19.39 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.292 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.447 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 46.9 t -151.97 150.16 29.69 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.944 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.59 122.33 19.85 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -153.34 -169.2 3.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.923 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -154.71 178.96 9.53 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.755 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.598 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 12.5 t70 -70.8 142.53 88.35 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.653 -179.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 15.7 Cg_exo -68.63 -28.52 31.15 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 122.817 2.344 . . . . 0.0 113.984 -179.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.49 ' HG2' ' OD1' ' A' ' 98' ' ' ASP . 14.4 pt-20 -105.35 -34.96 7.68 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.136 -177.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.598 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 14.3 t70 -111.96 100.78 9.16 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.259 -179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.0 mp -81.25 10.9 4.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.366 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.414 ' HB2' HG22 ' A' ' 127' ' ' VAL . 8.0 t -95.09 -11.93 27.41 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 177.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.3 m -105.14 117.94 35.27 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.619 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.422 ' HB2' HD11 ' A' ' 134' ' ' ILE . 38.4 p90 -112.18 144.47 41.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.812 0.339 . . . . 0.0 110.952 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.436 ' HB1' ' SG ' ' A' ' 119' ' ' CYS . . . -135.15 120.58 19.16 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 -177.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 44.9 p90 -114.82 143.01 45.78 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 120.895 0.378 . . . . 0.0 110.235 178.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.512 HD11 HG23 ' A' ' 40' ' ' THR . 70.7 mt -108.74 121.0 61.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.554 -179.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 12.1 p -108.85 159.92 16.4 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.164 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 91' ' ' ASN . 22.4 pttp -104.33 113.8 27.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.029 0.442 . . . . 0.0 111.182 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -101.42 96.2 6.99 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.954 178.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 29.1 tp -66.22 -12.02 53.58 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.666 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -65.31 -33.33 75.72 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.4 p -113.19 -9.75 13.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.249 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 64.1 t30 64.54 31.31 12.44 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.745 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -131.5 177.29 7.61 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.268 177.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.478 ' HB3' ' CG2' ' A' ' 108' ' ' ILE . 29.8 m-70 -112.58 134.14 54.26 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 120.818 0.342 . . . . 0.0 110.304 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.443 ' CZ ' HD23 ' A' ' 30' ' ' LEU . 55.2 m-85 -111.81 134.01 53.65 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.707 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.436 ' SG ' ' HB1' ' A' ' 106' ' ' ALA . 52.4 t -101.17 102.88 13.89 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.195 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 77.7 m-70 -93.07 109.6 21.08 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 177.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.4 p -116.41 129.94 72.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 CA-C-O 121.306 0.574 . . . . 0.0 111.599 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.485 ' CD2' HD21 ' A' ' 66' ' ' LEU . 8.3 m-85 -126.11 154.54 42.96 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.996 -178.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 39.9 p -101.66 117.42 34.86 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.376 178.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.408 ' HB1' HD22 ' A' ' 129' ' ' LEU . . . -79.15 154.63 29.17 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -83.8 -8.33 59.25 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.038 0.447 . . . . 0.0 110.173 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -142.06 135.93 29.66 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.73 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.414 HG22 ' HB2' ' A' ' 103' ' ' SER . 96.7 t -62.82 -47.64 91.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.555 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -60.32 -38.24 83.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.041 0.448 . . . . 0.0 110.076 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.408 HD22 ' HB1' ' A' ' 124' ' ' ALA . 8.3 tt -58.56 -49.95 75.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.755 177.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.45 99.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.619 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.43 -39.68 91.67 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.845 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.33 -42.97 99.01 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.979 178.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 71.2 mt -58.33 -49.01 83.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.265 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.422 HD11 ' HB2' ' A' ' 105' ' ' PHE . 46.5 mm -59.42 -43.31 90.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.526 178.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.64 -47.37 86.53 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 11.6 m -60.84 -45.44 94.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.613 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.42 -44.92 96.3 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.403 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -63.17 -46.26 93.57 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.201 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -63.47 -44.9 93.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.02 92.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.357 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -67.86 -36.09 79.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.152 0.501 . . . . 0.0 110.152 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -71.83 -46.65 57.37 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.242 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.404 ' HA ' ' CE2' ' A' ' 145' ' ' TYR . 6.7 p -63.59 -8.38 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-O 120.907 0.384 . . . . 0.0 111.825 -176.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.84 -6.71 6.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.523 178.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.404 ' CE2' ' HA ' ' A' ' 143' ' ' VAL . 22.4 p90 -61.97 -30.96 71.29 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 120.812 0.339 . . . . 0.0 110.483 177.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 . . . . . 0 C--O 1.242 0.698 0 CA-C-O 118.5 -0.762 . . . . 0.0 110.614 -177.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 . . . . . 0 N--CA 1.484 1.25 0 CA-C-O 121.326 0.584 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -134.33 132.74 39.88 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.478 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.2 tp 66.34 14.53 9.73 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.678 0.611 . . . . 0.0 110.008 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 18' ' ' SER . 10.9 tp -63.51 -6.11 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.877 -176.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.39 -29.01 26.55 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.982 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -107.87 -28.81 9.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.745 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 87.6 p -114.51 131.65 56.57 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.244 179.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.579 ' HB3' ' CE2' ' A' ' 21' ' ' TYR . 66.5 m -98.58 94.48 6.7 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.92 103.09 15.84 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.025 -177.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 19' ' ' CYS . 51.7 m-85 -118.44 176.02 5.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.753 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -122.84 127.44 49.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.085 0.469 . . . . 0.0 111.507 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -124.34 -177.72 3.88 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.758 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -121.65 112.0 17.89 Favored 'General case' 0 C--N 1.304 -1.41 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.015 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.489 ' O ' ' HB ' ' A' ' 61' ' ' VAL . 3.5 t80 -57.76 116.21 3.3 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.455 1.102 . . . . 0.0 111.71 -175.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.421 ' H ' ' HB3' ' A' ' 122' ' ' PHE . 19.0 tp -99.45 -59.07 1.79 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.73 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.66 144.21 8.22 Favored Glycine 0 C--N 1.341 0.834 0 C-N-CA 119.799 -1.191 . . . . 0.0 113.424 177.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.9 p -110.08 113.41 26.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.43 ' HE1' ' SD ' ' A' ' 47' ' ' MET . 1.5 tpp -108.37 145.28 34.74 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.247 -175.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.483 HD13 ' CE2' ' A' ' 118' ' ' TYR . 60.7 tp -105.65 117.09 33.13 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.236 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.483 ' CG2' HD21 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -120.52 176.67 3.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -113.31 -73.41 0.66 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -178.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -115.55 125.97 53.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 -178.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.483 HD21 ' CG2' ' A' ' 31' ' ' ILE . 29.8 mt -128.87 169.51 14.51 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.733 -173.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -148.74 85.93 1.51 Allowed 'General case' 0 C--O 1.238 0.483 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.68 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.71 -157.1 26.15 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.084 -0.579 . . . . 0.0 113.987 175.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.1 t -77.49 -0.62 26.81 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.006 0.431 . . . . 0.0 111.517 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -55.75 -41.11 73.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.984 0.421 . . . . 0.0 110.735 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.448 ' HB2' HD22 ' A' ' 34' ' ' LEU . 28.1 t -69.89 -40.95 75.34 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.703 -178.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.9 p -63.72 -38.73 92.22 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 120.614 -0.434 . . . . 0.0 109.889 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -70.99 -36.03 72.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.13 178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -55.56 -58.76 6.43 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-O 121.353 0.597 . . . . 0.0 109.838 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.12 -49.49 77.06 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.553 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 53.5 t -51.07 -56.25 13.52 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.435 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.51 -41.07 76.06 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.689 -178.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -61.17 -52.95 62.67 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.831 -0.347 . . . . 0.0 111.13 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.43 ' SD ' ' HE1' ' A' ' 29' ' ' MET . 5.0 mpp? -68.4 -25.06 64.86 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.463 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 44' ' ' CYS . 52.4 mtt180 -58.45 -51.42 69.94 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.538 ' HA ' ' NE2' ' A' ' 52' ' ' GLN . . . -67.32 -32.16 72.95 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.17 -179.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -72.26 -44.66 62.49 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.606 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 47.1 t -77.4 -15.33 59.41 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -175.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.538 ' NE2' ' HA ' ' A' ' 49' ' ' ALA . 10.6 pt20 -83.84 -2.9 57.34 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.028 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -100.91 -178.55 3.79 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -93.27 30.46 1.67 Allowed 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.503 0.668 . . . . 0.0 109.281 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.518 ' HB ' ' SD ' ' A' ' 58' ' ' MET . 6.6 m -56.16 107.53 0.37 Allowed 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.187 -178.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 60.04 25.94 15.23 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 57' ' ' GLN . 34.6 tt0 68.78 21.33 7.77 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.192 0.597 . . . . 0.0 111.046 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.518 ' SD ' ' HB ' ' A' ' 55' ' ' THR . 19.3 ptm -73.73 136.21 43.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.105 0.479 . . . . 0.0 110.52 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -141.36 -31.37 0.58 Allowed 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.921 177.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -132.26 170.63 14.77 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.601 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.758 HG23 ' HB1' ' A' ' 24' ' ' ALA . 1.6 m -121.56 143.96 39.22 Favored Pre-proline 0 C--N 1.303 -1.424 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.731 -178.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -61.91 142.66 93.87 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 123.359 2.706 . . . . 0.0 113.355 -176.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 25.1 m -76.16 127.23 32.5 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -118.94 130.1 74.22 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.438 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.8 mt -85.15 117.56 30.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.566 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.9 mt -97.21 105.26 17.37 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.315 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.466 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . 28.3 t -99.56 99.34 10.2 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.507 HG13 ' HB2' ' A' ' 19' ' ' CYS . 3.1 p -108.55 119.57 58.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.936 -177.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.7 p -127.67 159.62 34.14 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.267 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.92 -0.19 4.07 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -178.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -125.45 8.19 7.73 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 122.374 -0.204 . . . . 0.0 111.543 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 159.17 159.88 10.01 Favored Glycine 0 CA--C 1.51 -0.224 0 C-N-CA 120.062 -1.066 . . . . 0.0 112.759 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 23.8 t -130.46 132.66 64.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-O 121.189 0.519 . . . . 0.0 110.539 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.534 ' HE2' ' OE1' ' A' ' 86' ' ' GLU . 36.3 ttmt -121.22 141.45 50.85 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.21 -177.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.521 ' HB3' HD11 ' A' ' 64' ' ' ILE . 3.8 m-85 -126.9 111.81 14.58 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.199 -177.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.5 mp -122.46 146.41 27.72 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.923 -178.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.443 ' HB3' ' HB3' ' A' ' 82' ' ' ASN . 8.2 t70 -81.23 137.9 35.82 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 176.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.0 1.28 42.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.72 0.295 . . . . 0.0 111.392 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 m -79.83 -53.92 6.33 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.038 -178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -130.89 7.59 4.74 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.26 0.552 . . . . 0.0 109.966 -178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? 67.1 85.05 0.15 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.353 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.443 ' HB3' ' HB3' ' A' ' 77' ' ' ASP . 44.3 t30 -128.79 127.13 41.36 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.069 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.424 HD12 ' N ' ' A' ' 83' ' ' ILE . 3.7 mp -78.74 92.18 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 177.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.1 mt -67.83 -50.72 57.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 114.92 -1.037 . . . . 0.0 111.213 -176.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -159.93 154.01 23.3 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.108 0.48 . . . . 0.0 111.895 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.534 ' OE1' ' HE2' ' A' ' 74' ' ' LYS . 38.1 tt0 -145.76 113.06 6.2 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 177.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -135.52 162.97 31.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.15 0.5 . . . . 0.0 112.294 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -72.07 158.54 35.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.989 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.3 tt -60.32 -46.08 95.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-O 120.792 0.33 . . . . 0.0 111.449 -179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -74.15 3.96 6.32 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -78.37 -17.99 55.71 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 176.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.503 ' HA ' HG22 ' A' ' 109' ' ' THR . 21.2 mt -88.18 131.67 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.283 178.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 m -84.8 -41.14 16.39 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.597 -178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 45.3 t -166.13 164.15 17.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.425 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.27 130.73 29.11 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -139.15 169.23 18.15 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.923 0.392 . . . . 0.0 110.565 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -127.03 157.15 40.36 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.164 178.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.497 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 10.2 t70 -70.66 124.3 90.66 Favored Pre-proline 0 C--N 1.311 -1.084 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.346 -178.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 18.6 Cg_exo -67.67 -36.86 17.86 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.088 2.525 . . . . 0.0 113.752 -178.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.4 ' HG3' HH22 ' A' ' 48' ' ' ARG . 7.4 pt-20 -89.0 -24.68 22.32 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -176.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 15.2 t70 -126.59 95.74 4.45 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 173.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.728 ' H ' HD23 ' A' ' 102' ' ' LEU . 1.6 pt? -71.11 8.95 0.82 Allowed 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.43 -0.804 . . . . 0.0 113.118 -176.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.6 t -111.68 12.35 21.13 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.438 0.637 . . . . 0.0 109.302 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.7 m -128.37 142.32 51.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.325 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.517 ' CE2' ' HE1' ' A' ' 122' ' ' PHE . 24.5 p90 -151.74 165.07 35.56 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.563 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -146.51 151.23 37.03 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.219 -177.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.427 ' HE1' ' CE2' ' A' ' 122' ' ' PHE . 18.7 p90 -130.24 137.19 49.91 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.789 177.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.0 mt -100.25 122.45 52.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.9 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 92' ' ' ILE . 43.4 p -121.45 -168.75 1.74 Allowed 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.503 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.447 ' O ' ' HD2' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -153.64 131.71 11.81 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 120.852 0.358 . . . . 0.0 110.161 174.425 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -93.89 123.85 37.52 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.4 tp -66.81 -21.66 66.03 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.132 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -80.82 -13.18 59.18 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.973 0.416 . . . . 0.0 110.96 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.3 m -115.1 -21.85 9.8 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.398 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 62.9 t30 62.62 21.59 12.79 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.803 0.841 . . . . 0.0 111.0 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -130.42 169.01 16.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.376 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -95.69 130.37 42.61 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -173.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.483 ' CE2' HD13 ' A' ' 30' ' ' LEU . 5.2 m-85 -100.74 117.4 34.76 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.708 178.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 51.0 t -96.99 103.11 15.0 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -103.26 111.22 23.52 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.253 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.4 p -113.83 139.88 37.18 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.556 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.517 ' HE1' ' CE2' ' A' ' 105' ' ' PHE . 0.2 OUTLIER -152.33 168.02 26.79 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-O 121.226 0.536 . . . . 0.0 111.805 178.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 50.5 p -98.9 149.67 22.69 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.026 -177.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -105.84 159.95 15.62 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 120.629 0.252 . . . . 0.0 110.358 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -73.78 -31.85 63.49 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.183 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -142.47 151.3 41.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.765 -179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.2 t -60.1 -45.72 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.107 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -63.3 -40.57 97.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.816 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.492 ' O ' HG13 ' A' ' 133' ' ' ILE . 3.1 tm? -60.04 -46.24 90.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.802 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.02 77.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.057 0.456 . . . . 0.0 110.943 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.53 99.15 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.096 -178.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 129' ' ' LEU . 10.1 pt-20 -69.06 -36.37 77.58 Favored 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.935 -178.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 129' ' ' LEU . 31.6 mt -61.08 -45.51 98.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 174.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 37.3 mm -58.78 -42.46 85.5 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.878 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.4 tt -58.74 -46.71 86.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.265 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.9 m -64.25 -44.45 91.75 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 81.2 mt -58.42 -50.01 75.22 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.73 0.3 . . . . 0.0 110.899 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.85 -44.62 97.83 Favored Glycine 0 C--O 1.241 0.592 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.089 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -59.02 -44.28 91.7 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.42 -46.86 85.63 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.175 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -61.25 -43.88 98.16 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 111.18 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.21 -41.39 90.22 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.75 -11.82 12.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-O 120.965 0.412 . . . . 0.0 111.151 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -67.67 -24.08 65.39 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 120.959 0.409 . . . . 0.0 110.708 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -95.82 5.92 50.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.669 179.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.755 -0.64 . . . . 0.0 109.725 179.884 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 . . . . . 0 N--CA 1.486 1.36 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 66.87 101.24 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.537 -175.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 14' ' ' LEU . 5.8 mp -82.84 4.92 23.49 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.036 -176.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.514 ' H ' HD12 ' A' ' 15' ' ' ILE . 3.9 mp -77.58 73.63 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-O 122.009 0.909 . . . . 0.0 110.299 -179.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.09 -51.47 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 114.43 -1.259 . . . . 0.0 107.966 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -87.39 -28.84 21.92 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.136 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.1 p -128.68 115.1 17.5 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.047 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.567 ' HB2' HG13 ' A' ' 68' ' ' VAL . 74.9 m -96.09 104.85 16.82 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.286 -179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -97.04 118.83 34.32 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.571 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.507 ' CD1' ' HG ' ' A' ' 129' ' ' LEU . 72.4 m-85 -134.16 179.85 6.01 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.983 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -133.81 114.52 13.46 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -114.0 177.91 4.47 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.39 -178.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.641 ' O ' ' HB2' ' A' ' 122' ' ' PHE . . . -107.36 111.16 23.36 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.528 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.52 ' O ' ' HB ' ' A' ' 61' ' ' VAL . 4.8 t80 -66.65 104.14 1.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.311 -177.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.466 HD12 HG11 ' A' ' 61' ' ' VAL . 17.4 tp -85.99 -56.51 3.44 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.455 ' HA3' ' SD ' ' A' ' 47' ' ' MET . . . -179.53 157.24 20.12 Favored Glycine 0 C--N 1.337 0.611 0 C-N-CA 120.018 -1.087 . . . . 0.0 113.371 177.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.8 m -118.44 116.1 26.01 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -105.8 138.36 42.13 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.977 0.418 . . . . 0.0 111.752 -176.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.437 ' HG ' ' CE1' ' A' ' 118' ' ' TYR . 4.8 tt -84.43 118.52 24.32 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 mm -114.63 137.12 49.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.201 -178.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -111.06 -35.2 5.98 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.21 0.529 . . . . 0.0 109.794 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -102.67 102.29 12.48 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.093 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.407 HD12 HD13 ' A' ' 108' ' ' ILE . 3.0 mm? -86.45 103.08 14.66 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.726 -177.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.508 ' O ' ' HB2' ' A' ' 38' ' ' GLU . 15.5 ptt180 -108.17 75.86 1.01 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.174 0.511 . . . . 0.0 110.529 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 55.55 -130.55 48.29 Favored Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.332 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.2 p -99.7 9.51 42.98 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.754 0.788 . . . . 0.0 110.073 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.508 ' HB2' ' O ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -71.76 -38.67 70.33 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.77 178.05 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 42' ' ' ASP . 22.4 m -60.64 -41.08 94.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.222 177.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.506 HG22 ' SG ' ' A' ' 119' ' ' CYS . 38.4 p -68.6 -45.64 71.46 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.895 0.378 . . . . 0.0 110.243 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -34.53 77.22 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 39' ' ' SER . 12.1 t0 -57.81 -60.26 3.98 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.363 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.62 -40.76 88.62 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.951 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.463 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 48.6 t -59.96 -56.19 24.75 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.731 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.95 -41.56 74.87 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.746 0.308 . . . . 0.0 111.332 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -58.63 -52.95 63.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.702 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.455 ' SD ' ' HA3' ' A' ' 27' ' ' GLY . 66.1 mtm -70.61 -29.85 66.35 Favored 'General case' 0 CA--C 1.517 -0.313 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.865 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 44' ' ' CYS . 55.9 mtt180 -58.62 -48.34 81.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.338 0.589 . . . . 0.0 109.526 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.19 -26.98 62.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.836 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.555 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 66.4 t30 -73.79 -36.77 65.05 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.923 -179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.1 p -64.78 -29.01 69.97 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.978 0.418 . . . . 0.0 111.208 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -95.74 50.11 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.408 0.623 . . . . 0.0 109.556 177.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 41.3 tptt -90.95 130.21 36.9 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.69 -177.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.6 t -77.16 -17.99 58.18 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.527 ' H ' ' HG3' ' A' ' 53' ' ' LYS . 3.4 m -84.22 84.72 7.52 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.781 178.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 58.44 75.57 0.38 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.044 -178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -51.26 128.12 21.36 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.943 -176.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -73.01 146.55 45.86 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.476 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -80.07 -177.46 6.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.679 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -63.6 149.73 45.74 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.437 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.52 ' HB ' ' O ' ' A' ' 25' ' ' TYR . 26.9 m -79.19 155.38 77.09 Favored Pre-proline 0 C--N 1.307 -1.269 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.775 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.76 146.11 33.31 Favored 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 122.41 2.073 . . . . 0.0 112.626 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.5 m -81.34 125.9 30.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.258 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.568 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -115.66 137.62 48.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.226 -178.253 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.425 HD11 ' HB2' ' A' ' 78' ' ' ALA . 2.1 mp -79.73 112.03 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.315 0.578 . . . . 0.0 110.574 -178.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.08 97.74 11.12 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.35 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.506 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 48.8 m -108.34 101.13 10.35 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.543 0.687 . . . . 0.0 110.57 179.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.567 HG13 ' HB2' ' A' ' 19' ' ' CYS . 2.2 p -110.12 115.27 49.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.682 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.44 ' OG ' ' HG2' ' A' ' 71' ' ' LYS . 38.0 t -121.3 153.03 38.24 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.278 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.61 -13.46 62.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.44 ' HG2' ' OG ' ' A' ' 69' ' ' SER . 17.0 ptpt -103.77 -1.43 27.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.694 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.404 ' O ' ' HB3' ' A' ' 69' ' ' SER . . . 156.14 158.72 8.98 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.402 -0.904 . . . . 0.0 112.388 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.0 m -118.64 143.13 30.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-O 120.867 0.365 . . . . 0.0 110.688 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.506 ' HG3' ' HB2' ' A' ' 67' ' ' SER . 16.0 ptpt -146.19 134.13 21.38 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 121.53 0.681 . . . . 0.0 110.613 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.568 ' HB3' HD11 ' A' ' 64' ' ' ILE . 9.0 m-85 -122.91 111.12 16.27 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -177.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.4 mp -123.7 153.01 29.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 123.539 0.524 . . . . 0.0 111.665 -174.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.666 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -95.63 153.95 17.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.902 175.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.425 ' HB2' HD11 ' A' ' 65' ' ' ILE . . . -100.67 -11.42 20.0 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.8 m -74.2 -53.33 10.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.953 0.406 . . . . 0.0 110.924 -177.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -124.93 5.99 8.01 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.541 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.666 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 58.2 mttp 63.91 29.53 14.49 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.525 -178.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -72.73 123.75 23.95 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.706 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.742 HD13 ' H ' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -80.58 114.2 21.14 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.273 0 CA-C-O 121.215 0.531 . . . . 0.0 110.68 179.018 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.4 mp -64.06 -43.2 97.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -171.35 148.51 2.61 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.738 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -151.26 117.73 5.7 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.041 0.448 . . . . 0.0 110.567 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.539 ' NE2' ' HE3' ' A' ' 113' ' ' LYS . 5.1 m-70 -153.15 -174.17 4.84 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.271 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -71.95 159.04 34.92 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 177.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.402 HD13 ' C ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -59.46 -45.33 93.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -177.144 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -75.04 6.68 3.92 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.028 0.442 . . . . 0.0 111.783 -177.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -75.53 -16.54 60.26 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 174.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.18 120.64 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.2 t -77.04 -36.72 55.85 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.742 -176.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 47.3 t -159.39 151.67 21.11 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.086 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.48 120.97 31.04 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.536 ' O ' ' HB2' ' A' ' 105' ' ' PHE . . . -128.63 169.51 14.35 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 120.957 0.408 . . . . 0.0 111.409 -177.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 16.9 pt20 -147.53 162.22 39.52 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.677 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -74.33 129.12 84.81 Favored Pre-proline 0 C--N 1.321 -0.648 0 C-N-CA 119.997 -0.681 . . . . 0.0 109.77 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -57.94 -30.99 91.6 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.671 2.248 . . . . 0.0 112.719 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -75.64 -28.22 58.68 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -177.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -156.83 142.84 17.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.852 0.358 . . . . 0.0 111.612 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.9 mp -90.29 -5.54 56.18 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -176.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.6 t -89.44 17.14 6.54 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.419 0.628 . . . . 0.0 110.503 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.401 HG21 ' NH2' ' A' ' 48' ' ' ARG . 1.5 t -149.52 121.16 8.03 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.182 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.536 ' HB2' ' O ' ' A' ' 96' ' ' ALA . 34.0 p90 -149.85 175.22 11.82 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 120.401 -0.52 . . . . 0.0 112.325 -175.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.48 ' HB2' ' HB ' ' A' ' 121' ' ' VAL . . . -152.83 140.82 20.24 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.945 -177.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -121.14 142.13 50.16 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-O 120.973 0.416 . . . . 0.0 110.039 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.407 HD13 HD12 ' A' ' 34' ' ' LEU . 56.3 mt -100.22 120.91 50.31 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.47 140.83 35.22 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.363 -175.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 tptm -87.93 75.1 8.86 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -82.67 78.3 9.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.578 0.704 . . . . 0.0 109.341 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.7 tp -62.07 -30.47 71.01 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.424 -174.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.539 ' HE3' ' NE2' ' A' ' 87' ' ' HIS . 0.0 OUTLIER -72.26 -17.69 61.87 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 119.751 -0.78 . . . . 0.0 111.63 -179.394 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.9 m -97.43 -5.86 35.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.949 0.404 . . . . 0.0 110.069 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 64.78 13.38 8.41 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.669 177.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -140.64 170.25 16.13 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.724 0.297 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -102.35 126.09 49.26 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.983 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.437 ' CE1' ' HG ' ' A' ' 30' ' ' LEU . 23.9 m-85 -104.59 126.23 51.48 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.049 0.452 . . . . 0.0 111.32 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.506 ' SG ' HG22 ' A' ' 40' ' ' THR . 33.2 t -101.63 100.55 10.96 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.507 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -89.75 104.13 16.71 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.48 ' HB ' ' HB2' ' A' ' 106' ' ' ALA . 1.2 p -109.1 130.03 62.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.244 -178.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.641 ' HB2' ' O ' ' A' ' 24' ' ' ALA . 22.9 p90 -153.61 168.2 26.98 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 121.204 0.526 . . . . 0.0 111.351 -176.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 50.6 p -107.45 170.61 7.87 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.324 -177.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.499 ' CB ' ' HB2' ' A' ' 130' ' ' ALA . . . -129.5 150.39 50.86 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 177.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -77.54 -26.1 50.73 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.593 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -122.7 131.0 53.6 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.57 -52.34 62.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.487 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -62.4 -37.18 84.77 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.448 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.507 ' HG ' ' CD1' ' A' ' 21' ' ' TYR . 8.2 tt -56.7 -51.46 68.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.735 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.499 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . . . -64.01 -45.73 87.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.988 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.39 79.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.144 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -70.98 -34.04 71.0 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.892 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 129' ' ' LEU . 67.3 mt -64.3 -44.97 97.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 30.3 mm -58.77 -43.11 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.287 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.46 -46.43 90.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.545 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 62.3 m -58.14 -52.39 65.77 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.746 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.23 -51.75 67.66 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.404 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.56 -46.84 92.66 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.951 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -64.9 -42.58 94.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.763 0.316 . . . . 0.0 110.826 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.81 -37.2 86.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -76.34 -40.43 51.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.96 -40.99 95.83 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.868 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.7 p -65.82 -31.62 54.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -82.18 -15.26 53.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.226 0.536 . . . . 0.0 110.641 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -84.39 -55.59 4.08 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.689 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 . . . . . 0 C--O 1.243 0.715 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.393 -179.777 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 121.061 0.458 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.35 85.99 6.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.292 0.567 . . . . 0.0 110.835 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.0 tp -127.94 157.94 39.18 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.923 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.6 mm -70.86 77.59 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 121.418 0.628 . . . . 0.0 109.932 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 178.58 -41.95 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.385 -1.279 . . . . 0.0 108.274 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -107.5 -3.79 19.09 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.956 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 87.7 p -152.84 149.87 28.74 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.553 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.673 ' SG ' HG21 ' A' ' 136' ' ' THR . 19.4 p -133.49 130.37 38.46 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 120.848 0.356 . . . . 0.0 110.377 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -106.76 95.82 6.0 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.508 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -116.18 138.86 50.91 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.003 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -90.4 121.94 32.82 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.487 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -117.74 173.6 6.65 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.812 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.496 ' HB1' ' CG2' ' A' ' 61' ' ' VAL . . . -98.82 120.52 39.39 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.33 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.478 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 5.7 t80 -72.35 95.6 1.76 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.962 0.41 . . . . 0.0 109.918 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.409 ' HB3' ' O ' ' A' ' 121' ' ' VAL . 20.3 tp -77.03 -56.92 4.16 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -173.51 165.79 37.91 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 119.662 -1.256 . . . . 0.0 113.529 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' A' ' 119' ' ' CYS . 28.7 t -144.85 109.65 5.02 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.413 ' HB2' ' HE2' ' A' ' 29' ' ' MET . 2.4 mpp? -107.7 157.7 17.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.708 -175.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.438 HD21 ' CE1' ' A' ' 118' ' ' TYR . 97.2 mt -96.31 105.45 17.52 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.73 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.406 HG12 ' HB2' ' A' ' 119' ' ' CYS . 15.1 mm -94.5 117.45 38.24 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -61.91 -76.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -98.84 108.19 20.81 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -85.09 118.57 24.73 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.923 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -117.21 83.82 2.05 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.616 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.2 -153.24 35.56 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.396 -0.82 . . . . 0.0 114.635 176.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 t -76.68 -2.47 33.0 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.258 0.623 . . . . 0.0 110.955 -178.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -61.85 -50.09 73.65 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.638 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.9 t -74.94 -27.76 60.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.042 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.2 p -67.05 -44.82 79.21 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 120.254 -0.579 . . . . 0.0 109.826 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -69.68 -30.65 68.36 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.724 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.42 -53.2 60.87 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.234 0.54 . . . . 0.0 109.816 175.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.37 87.17 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.096 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.5 t -59.19 -59.5 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.466 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.69 82.59 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.523 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' NZ ' ' HB2' ' A' ' 46' ' ' LYS . 4.9 ttmp? -58.17 -55.12 39.07 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.931 0.395 . . . . 0.0 111.179 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.419 ' HE1' HG13 ' A' ' 121' ' ' VAL . 49.1 mtm -70.73 -37.41 73.49 Favored 'General case' 0 C--O 1.217 -0.639 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.849 -178.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -63.07 -34.08 76.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.816 0.341 . . . . 0.0 110.485 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.33 -33.7 58.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.945 0.402 . . . . 0.0 110.548 176.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.411 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 17.1 m-80 -77.05 -27.03 54.26 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.631 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.8 t -68.18 -37.37 80.88 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.89 0.376 . . . . 0.0 110.604 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -81.5 54.83 2.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.192 0.52 . . . . 0.0 111.546 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 50' ' ' ASN . 51.4 mttp -59.55 -49.26 78.44 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.256 178.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 p -153.24 143.52 22.39 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.598 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.2 t -53.15 130.52 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 52.49 4.05 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.805 1.642 . . . . 0.0 114.848 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -88.98 -18.63 27.03 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 174.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 ptp -65.23 124.31 21.84 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.496 -1.229 . . . . 0.0 108.744 175.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -95.73 161.13 14.15 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 120.96 0.41 . . . . 0.0 111.6 -175.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.443 ' O ' ' HD2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -69.49 144.77 53.11 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.352 178.886 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.496 ' CG2' ' HB1' ' A' ' 24' ' ' ALA . 27.3 m -95.3 160.71 30.09 Favored Pre-proline 0 C--N 1.304 -1.374 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.657 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -49.04 134.24 29.37 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.931 2.421 . . . . 0.0 112.578 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.8 m -84.72 131.64 34.55 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.543 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.634 HD11 ' HB3' ' A' ' 75' ' ' PHE . 1.3 tt -116.41 135.55 56.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.104 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.57 100.05 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 73.2 mt -83.27 94.77 7.98 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.612 ' OG ' ' HG3' ' A' ' 74' ' ' LYS . 3.3 p -102.72 97.95 8.05 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.488 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.435 HG21 HD23 ' A' ' 137' ' ' LEU . 1.4 p -106.3 127.21 61.74 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.905 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.2 m -118.52 159.89 22.72 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.309 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.75 -12.93 39.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.65 0.262 . . . . 0.0 111.535 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.535 ' HA ' ' HE2' ' A' ' 71' ' ' LYS . 8.3 mmpt? -111.68 4.82 18.84 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.755 -178.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 156.42 166.3 16.01 Favored Glycine 0 C--O 1.22 -0.761 0 C-N-CA 119.837 -1.173 . . . . 0.0 112.295 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.44 HG11 HD11 ' A' ' 92' ' ' ILE . 7.4 p -131.49 129.16 61.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.265 0.555 . . . . 0.0 111.293 -177.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.612 ' HG3' ' OG ' ' A' ' 67' ' ' SER . 4.3 ptmm? -118.52 135.51 54.36 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.989 -179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.634 ' HB3' HD11 ' A' ' 64' ' ' ILE . 4.3 m-85 -117.98 112.46 20.3 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.17 -176.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.442 ' N ' HD12 ' A' ' 76' ' ' ILE . 3.5 mp -124.28 149.3 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-O 120.638 0.256 . . . . 0.0 110.983 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.625 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -86.9 149.34 24.87 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.903 0.481 . . . . 0.0 110.796 178.206 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.4 -17.28 20.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 m -69.19 -54.23 15.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.877 0.37 . . . . 0.0 111.532 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -125.85 4.36 7.36 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.234 0.54 . . . . 0.0 110.091 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.625 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 13.5 mptt 66.51 38.06 4.33 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.645 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -86.88 130.44 34.46 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 83' ' ' ILE . 3.3 mp -75.32 114.2 15.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-O 120.64 0.257 . . . . 0.0 110.408 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' A' ' 77' ' ' ASP . 2.2 mp -68.74 -46.35 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.246 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -170.76 171.25 6.23 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.366 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -153.16 120.62 5.92 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -139.72 153.14 47.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.078 0.465 . . . . 0.0 111.635 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.07 147.38 38.7 Favored 'General case' 0 C--N 1.311 -1.084 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 175.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.545 HD12 HD12 ' A' ' 92' ' ' ILE . 7.6 tp -59.33 -39.28 78.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -175.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -70.32 -7.51 43.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.511 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -96.15 -2.28 46.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.975 0.417 . . . . 0.0 111.035 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.545 HD12 HD12 ' A' ' 89' ' ' ILE . 28.8 mt -74.61 111.65 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.814 178.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.1 m -55.62 -51.45 67.14 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.538 -177.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 48.9 t -169.36 160.43 9.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.427 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.9 132.19 23.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.355 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -141.84 164.98 28.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.729 0.3 . . . . 0.0 110.927 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 29.8 pt20 -128.71 162.32 27.64 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.75 123.35 83.97 Favored Pre-proline 0 C--N 1.317 -0.84 0 CA-C-O 120.882 0.372 . . . . 0.0 111.364 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -63.16 -29.15 73.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.589 2.193 . . . . 0.0 111.676 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -88.24 -6.8 57.6 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.699 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -154.34 102.61 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.954 0.407 . . . . 0.0 110.505 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 90.1 mt -80.43 13.98 2.21 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.527 -177.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.1 t -118.09 13.36 13.84 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.2 m -135.05 134.19 40.13 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.891 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 32.1 p90 -138.55 149.16 45.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.172 0.51 . . . . 0.0 111.896 -177.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -139.32 124.25 18.72 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.184 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -133.9 164.16 27.89 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.982 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.31 137.64 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.921 0 CA-C-O 121.204 0.526 . . . . 0.0 112.132 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 118' ' ' TYR . 50.6 p -139.79 123.06 16.99 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.338 -1.301 . . . . 0.0 109.215 178.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.439 ' O ' ' HD2' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -89.86 133.82 34.53 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.299 -0.561 . . . . 0.0 111.113 178.52 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -115.92 141.21 48.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.64 -177.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 112' ' ' LEU . 8.0 tt -59.27 -34.6 72.46 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.545 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.468 ' HB2' ' HZ2' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -87.69 -7.68 57.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.077 0.465 . . . . 0.0 110.858 -177.674 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.413 ' HB2' ' CE2' ' A' ' 118' ' ' TYR . 33.0 t -98.78 -43.63 6.7 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.542 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 19.1 m120 70.52 5.24 5.3 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.403 -177.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -129.42 -179.98 5.46 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.084 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -98.11 114.4 26.58 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.384 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.438 ' CE1' HD21 ' A' ' 30' ' ' LEU . 10.6 m-85 -78.24 108.76 11.8 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.657 178.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.552 ' O ' ' HA ' ' A' ' 28' ' ' SER . 47.2 t -88.24 92.72 9.27 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 176.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -89.51 104.83 17.35 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.675 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.419 HG13 ' HE1' ' A' ' 47' ' ' MET . 1.7 p -114.51 115.08 48.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 CA-C-O 121.436 0.636 . . . . 0.0 109.964 178.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 16.6 m-85 -128.71 162.18 27.97 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.588 -177.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.43 HG23 ' HB3' ' A' ' 24' ' ' ALA . 3.2 t -122.03 138.5 54.41 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.111 0.481 . . . . 0.0 110.579 179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.17 159.62 18.8 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.508 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -85.6 -10.42 55.88 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 120.973 0.416 . . . . 0.0 110.208 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.451 ' HB2' ' HB2' ' A' ' 129' ' ' LEU . 25.4 m-20 -144.42 146.53 32.54 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.545 178.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 72.3 t -61.77 -46.69 95.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.898 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.487 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 2.9 t-20 -63.7 -32.75 74.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.182 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 126' ' ' ASP . 2.2 tm? -61.36 -51.03 70.52 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.04 98.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.556 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.3 -45.2 88.41 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.144 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 128' ' ' ASN . 67.9 mm-40 -60.43 -47.92 84.01 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.671 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 79.2 mt -54.84 -55.43 15.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.121 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 50.8 mm -62.12 -34.5 63.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.075 0.464 . . . . 0.0 110.876 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.78 -54.32 37.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.752 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.673 HG21 ' SG ' ' A' ' 19' ' ' CYS . 9.5 t -68.77 -31.46 70.5 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.606 -178.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.435 HD23 HG21 ' A' ' 68' ' ' VAL . 51.3 mt -61.95 -52.03 65.71 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 175.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -61.64 -45.41 96.34 Favored Glycine 0 C--O 1.217 -0.908 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.746 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -56.87 -48.75 77.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.877 0.37 . . . . 0.0 110.921 178.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.57 84.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.358 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -75.7 -35.34 60.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.031 0.443 . . . . 0.0 110.565 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -72.17 -43.46 64.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.872 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.07 -24.39 35.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-O 120.996 0.427 . . . . 0.0 111.101 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -78.01 -11.42 59.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -115.27 -24.29 8.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.445 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 . . . . . 0 C--O 1.244 0.788 0 CA-C-O 118.532 -0.746 . . . . 0.0 110.382 -179.784 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.952 0.406 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp 61.35 43.57 10.46 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.786 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.482 HD22 ' H ' ' A' ' 14' ' ' LEU . 2.3 mm? -67.7 114.43 6.31 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.1 pt -62.8 -22.41 30.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -176.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.67 -30.31 7.39 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -93.94 -5.07 48.61 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.951 0.405 . . . . 0.0 111.8 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.5 m -150.71 169.58 21.27 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.506 ' HB2' HG13 ' A' ' 68' ' ' VAL . 89.2 m -118.53 117.73 29.79 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 177.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -115.5 105.59 12.98 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.585 -177.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.597 ' HB3' HD21 ' A' ' 129' ' ' LEU . 70.2 m-85 -124.09 151.79 43.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -176.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -104.46 134.1 48.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.48 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.29 170.67 15.52 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.456 ' HB1' HG21 ' A' ' 61' ' ' VAL . . . -97.95 125.28 42.79 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 178.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.586 ' O ' HG23 ' A' ' 61' ' ' VAL . 36.7 t80 -70.78 96.17 1.22 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.697 -177.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.418 ' HB3' ' O ' ' A' ' 121' ' ' VAL . 24.9 tp -78.26 -51.6 9.91 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 167.97 158.7 12.39 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 119.443 -1.361 . . . . 0.0 113.734 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.4 p -112.61 109.27 18.71 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -104.41 140.07 38.46 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.267 -175.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 116' ' ' HIS . 36.6 tp -96.69 125.74 41.37 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -178.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.6 mm -105.58 126.01 60.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.746 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -62.93 -58.73 6.36 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.542 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -117.69 105.56 12.14 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.121 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.693 HD21 HD13 ' A' ' 108' ' ' ILE . 0.8 OUTLIER -75.92 128.52 35.26 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.412 -177.653 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.414 ' N ' HD13 ' A' ' 34' ' ' LEU . 43.9 ptt85 -141.9 93.97 2.62 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.341 0.591 . . . . 0.0 111.885 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.32 -163.32 17.32 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-N 115.346 -0.843 . . . . 0.0 114.441 176.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.3 p -80.62 -1.77 43.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.314 0.578 . . . . 0.0 111.138 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -73.63 -20.81 60.48 Favored 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.1 m -71.39 -40.99 70.19 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.585 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.594 HG23 HD11 ' A' ' 108' ' ' ILE . 21.6 p -69.07 -40.16 78.65 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.956 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -58.15 -45.64 87.07 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.846 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -57.28 -50.64 72.28 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.46 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.77 -54.98 26.73 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.759 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 82.4 m -51.6 -52.73 45.18 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.167 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.67 89.64 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.991 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -56.73 -60.12 4.02 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.481 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -69.76 -38.12 76.64 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -176.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.51 HH12 ' HG3' ' A' ' 100' ' ' GLU . 16.3 ptm180 -66.25 -37.71 86.15 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.591 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 53' ' ' LYS . . . -68.96 -41.91 77.35 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 121.004 0.431 . . . . 0.0 109.892 178.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -62.43 -37.0 84.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.521 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.5 t -66.51 -28.76 68.81 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.57 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -103.74 14.48 30.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.311 0.577 . . . . 0.0 110.724 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 49' ' ' ALA . 38.1 tptt -117.67 173.77 6.54 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.2 t -73.06 98.11 2.48 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 176.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.0 t -122.49 172.61 8.24 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.31 -176.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -146.77 169.29 19.39 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.51 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 72.21 -10.85 0.85 Allowed 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.342 0.657 . . . . 0.0 111.472 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.2 ttm -73.28 116.83 14.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-O 121.201 0.524 . . . . 0.0 110.079 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.702 ' H ' ' HD2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -98.05 169.17 9.81 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.606 -179.093 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -63.23 125.9 25.63 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.245 0.545 . . . . 0.0 111.454 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 25' ' ' TYR . 7.5 p -63.94 125.58 88.2 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 114.913 -1.04 . . . . 0.0 112.121 -178.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -88.01 163.1 7.35 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 122.748 2.299 . . . . 0.0 111.791 176.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.5 m -94.59 129.68 41.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.951 0.405 . . . . 0.0 110.86 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.66 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -111.69 136.27 48.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.069 179.046 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.474 HG13 ' HB2' ' A' ' 78' ' ' ALA . 40.8 mt -104.77 113.75 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 176.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.505 HD23 ' CD1' ' A' ' 75' ' ' PHE . 4.4 mp -92.5 105.92 18.0 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.283 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.3 m -96.72 95.68 8.08 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.144 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.506 HG13 ' HB2' ' A' ' 19' ' ' CYS . 3.1 p -106.87 130.05 59.48 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.019 -176.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 t -124.27 156.78 36.3 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.61 -13.7 61.45 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -113.88 7.92 17.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.727 0.299 . . . . 0.0 111.494 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.43 152.19 7.01 Favored Glycine 0 C--O 1.219 -0.801 0 C-N-CA 120.065 -1.064 . . . . 0.0 111.824 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.54 HG11 HD11 ' A' ' 92' ' ' ILE . 6.7 p -135.14 130.18 51.27 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-O 121.069 0.461 . . . . 0.0 111.398 -176.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' ' 74' ' ' LYS . 12.4 ptpt -130.64 128.19 40.46 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.52 0.676 . . . . 0.0 111.395 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.66 ' HB3' HD11 ' A' ' 64' ' ' ILE . 22.2 m-85 -104.0 114.13 28.17 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.554 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.1 mt -120.1 150.39 22.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.406 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.523 ' HB3' ' H ' ' A' ' 82' ' ' ASN . 13.4 t70 -72.01 149.72 44.69 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.474 ' HB2' HG13 ' A' ' 65' ' ' ILE . . . -84.18 -25.42 29.56 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -175.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.9 m -94.53 -55.17 3.24 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -174.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -114.18 20.55 15.5 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.877 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt 48.4 31.5 2.8 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.856 0.862 . . . . 0.0 112.39 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.523 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 38.6 t30 -55.41 125.81 22.44 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.02 177.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 83' ' ' ILE . 3.6 mp -72.76 100.83 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.084 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.1 mt -82.92 -60.23 2.34 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -177.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.59 113.73 2.05 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.894 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -114.13 121.08 42.7 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.935 176.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -150.42 -171.52 3.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.296 0.57 . . . . 0.0 111.505 -178.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -105.88 154.0 21.16 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.14 177.744 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.458 HD12 HD12 ' A' ' 92' ' ' ILE . 7.4 tp -61.37 -25.08 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 120.817 0.341 . . . . 0.0 111.628 -176.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -65.37 -24.67 67.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.145 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -84.86 -10.04 57.54 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 120.815 0.34 . . . . 0.0 111.296 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.54 HD11 HG11 ' A' ' 73' ' ' VAL . 30.1 mt -82.94 112.23 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 176.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.7 t -79.3 -36.88 38.94 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.386 -175.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.5 t -157.53 162.56 38.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.814 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.01 107.24 4.54 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -124.15 -179.14 4.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.324 0.583 . . . . 0.0 111.9 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.433 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 6.6 pt20 -141.27 163.92 31.65 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.52 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.59 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 11.0 t70 -68.37 139.96 92.41 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-O 120.523 0.201 . . . . 0.0 110.766 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 62.1 Cg_exo -53.22 -48.13 23.75 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.212 2.608 . . . . 0.0 113.891 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.51 ' HG3' HH12 ' A' ' 48' ' ' ARG . 9.1 pt-20 -103.15 -28.36 11.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -175.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.59 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 11.4 t70 -103.64 104.87 14.97 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.056 0.455 . . . . 0.0 110.558 -178.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -82.8 7.63 14.6 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.245 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.7 t -104.55 3.19 31.59 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.1 m -119.72 124.0 45.15 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.909 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.496 ' HB2' HD11 ' A' ' 134' ' ' ILE . 44.4 p90 -124.74 153.74 41.94 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.765 0.316 . . . . 0.0 110.993 -178.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 120' ' ' HIS . . . -147.53 118.53 7.69 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.567 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -109.3 148.44 31.03 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.239 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.693 HD13 HD21 ' A' ' 34' ' ' LEU . 74.7 mt -110.26 126.57 67.52 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.002 -177.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.404 HG22 HG12 ' A' ' 92' ' ' ILE . 6.8 p -116.96 140.72 49.14 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.368 178.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.3 pttp -85.86 98.29 10.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.479 0.657 . . . . 0.0 109.924 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -89.41 98.79 11.97 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.106 -175.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.2 -23.29 67.26 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.219 -0.9 . . . . 0.0 112.818 -175.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -80.18 -13.16 59.47 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.69 -178.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.4 p -111.44 -4.77 14.74 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.94 0.4 . . . . 0.0 110.308 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 66.8 t30 67.82 6.84 5.33 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.753 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.487 ' HB2' HD11 ' A' ' 30' ' ' LEU . 97.3 m-70 -136.02 -171.58 2.91 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 121.947 -0.47 . . . . 0.0 111.0 -178.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -104.97 123.81 48.43 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.998 0.428 . . . . 0.0 111.641 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -93.25 120.27 33.35 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.063 177.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 24.5 p -102.01 121.24 41.8 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 177.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.438 ' O ' ' HA ' ' A' ' 106' ' ' ALA . 28.8 m170 -102.05 108.21 19.57 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.305 -177.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 7.6 p -101.61 122.36 53.67 Favored 'Isoleucine or valine' 0 C--O 1.247 0.967 0 CA-C-O 121.24 0.543 . . . . 0.0 110.233 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 25' ' ' TYR . 22.7 m-85 -130.13 142.85 50.55 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.824 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 75.0 p -100.43 116.42 32.34 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.57 164.36 25.43 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 120.815 0.341 . . . . 0.0 110.497 -178.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -95.86 13.61 26.16 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.361 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 129' ' ' LEU . 19.6 t70 -170.81 142.08 1.88 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.769 -178.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.94 -53.79 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.954 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -63.22 -35.44 80.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.944 0.402 . . . . 0.0 110.554 -178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.597 HD21 ' HB3' ' A' ' 21' ' ' TYR . 5.2 tt -60.01 -48.11 83.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.498 178.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.06 -44.34 96.1 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.392 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.97 -40.21 84.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.553 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -61.8 -43.98 97.78 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.209 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 129' ' ' LEU . 68.6 mt -59.69 -51.23 75.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.266 178.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.496 HD11 ' HB2' ' A' ' 105' ' ' PHE . 33.2 mm -62.48 -43.47 98.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.591 ' O ' ' HG2' ' A' ' 139' ' ' GLN . 9.9 tt -58.05 -47.75 82.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.206 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 32.5 m -63.61 -45.25 91.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 99.1 mt -57.31 -41.04 79.14 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.04 0.448 . . . . 0.0 109.793 176.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -64.52 -38.43 95.73 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.062 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 29.3 mm-40 -65.49 -42.85 91.72 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.989 0.423 . . . . 0.0 110.228 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.62 88.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.823 177.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.45 -34.61 78.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.955 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.462 ' HG3' ' NE2' ' A' ' 146' ' ' GLN . 10.5 tp10 -67.65 -48.21 67.36 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.936 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.7 p -69.81 -22.2 24.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-O 120.986 0.422 . . . . 0.0 110.949 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.92 -13.23 59.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.009 0.433 . . . . 0.0 110.861 178.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -91.05 -30.16 16.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.322 0.582 . . . . 0.0 110.031 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . 0.462 ' NE2' ' HG3' ' A' ' 142' ' ' GLU . 40.2 mt-30 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.472 -178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.788 0.328 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -97.61 100.46 11.86 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.4 mt -55.69 -76.07 0.03 OUTLIER 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.366 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.6 mt -75.48 92.1 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.589 0 CA-C-O 121.234 0.54 . . . . 0.0 110.028 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 168.38 -67.48 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.673 0 CA-C-N 114.306 -1.316 . . . . 0.0 108.431 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -83.61 -24.41 31.47 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.87 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.5 m -121.36 153.75 37.37 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.99 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.9 m -111.48 105.28 13.83 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 176.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -108.61 114.57 28.49 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.754 -175.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.413 ' CB ' HD21 ' A' ' 129' ' ' LEU . 41.0 m-85 -136.86 174.98 10.03 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -108.47 120.02 41.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.002 0.43 . . . . 0.0 110.529 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.09 176.05 5.18 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.562 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.493 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -116.42 121.54 42.18 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -71.1 96.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.077 -176.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.484 ' HB3' ' O ' ' A' ' 121' ' ' VAL . 32.3 tp -78.64 -62.52 1.66 Allowed 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.257 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.46 165.28 36.08 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 119.617 -1.278 . . . . 0.0 113.548 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.4 p -128.4 103.39 7.12 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 122.73 0.412 . . . . 0.0 110.259 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.81 158.29 15.96 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 120.905 0.383 . . . . 0.0 111.324 -177.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.5 mt -104.55 117.13 33.38 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.8 mm -96.24 131.0 44.12 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.07 -176.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -82.91 -69.0 0.66 Allowed 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -92.44 107.84 19.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.782 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.553 HD21 HD13 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -89.35 111.62 22.52 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -178.285 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -142.49 109.33 5.46 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.272 0.558 . . . . 0.0 111.769 -179.1 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 54.71 -144.61 30.19 Favored Glycine 0 C--N 1.331 0.259 0 CA-C-N 115.215 -0.902 . . . . 0.0 113.463 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.4 t -97.17 9.24 42.71 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.095 0.474 . . . . 0.0 110.243 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -68.93 -39.27 79.7 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.08 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.0 m -62.5 -44.55 96.1 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.4 p -68.52 -42.8 78.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.441 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -63.92 -35.66 81.4 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.969 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.587 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 18.4 t70 -59.97 -60.06 4.43 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.185 177.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.42 -44.57 84.76 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.083 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.9 t -58.49 -60.82 3.2 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.403 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.27 86.44 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -176.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 42' ' ' ASP . 44.4 mmtm -61.32 -52.05 66.31 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.252 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 48.1 mtm -72.93 -38.74 66.72 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.465 -0.494 . . . . 0.0 112.117 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.441 HH12 ' HG3' ' A' ' 100' ' ' GLU . 64.0 ttt180 -57.01 -46.62 82.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.796 0.332 . . . . 0.0 110.508 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' ' 53' ' ' LYS . . . -70.92 -47.85 56.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.54 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -57.27 -38.85 74.53 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.637 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.7 t -63.25 -30.27 71.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.464 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -102.18 -2.15 29.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.745 0.307 . . . . 0.0 111.543 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 31.9 mmmt -97.95 -63.69 1.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 176.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.5 p -87.99 87.67 7.41 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.3 p -102.76 154.36 19.25 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.331 -176.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -140.47 -155.27 0.57 Allowed 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -71.55 2.87 4.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.081 0.467 . . . . 0.0 110.811 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 49.2 ttp -56.24 125.65 22.73 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.833 178.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -88.05 -54.07 4.41 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -167.94 160.94 12.6 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.442 -0.799 . . . . 0.0 108.879 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.493 HG23 ' HB1' ' A' ' 24' ' ' ALA . 32.5 m -71.58 155.59 92.33 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.561 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.35 144.48 91.2 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.091 2.528 . . . . 0.0 112.974 -178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.1 m -84.01 135.74 34.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.107 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.469 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -129.31 128.8 66.92 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -179.763 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.474 HD12 ' H ' ' A' ' 65' ' ' ILE . 4.3 mp -75.78 109.42 9.34 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.587 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.99 99.17 11.95 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.296 -178.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.428 ' HB3' ' HB2' ' A' ' 74' ' ' LYS . 22.8 t -112.55 116.14 29.75 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 121.382 0.611 . . . . 0.0 110.052 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.454 HG21 HD23 ' A' ' 137' ' ' LEU . 2.3 p -123.36 134.31 66.66 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.529 -177.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.7 p -145.14 161.81 38.58 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.38 -1.66 13.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.079 0.466 . . . . 0.0 110.693 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -105.25 -9.09 17.89 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.618 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 154.03 171.11 20.72 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.234 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.5 m -124.47 136.52 60.29 Favored 'Isoleucine or valine' 0 C--O 1.248 0.999 0 CA-C-O 121.295 0.569 . . . . 0.0 111.591 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 67' ' ' SER . 73.9 mmtt -122.93 122.54 38.82 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.062 -178.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.469 ' HB3' HD11 ' A' ' 64' ' ' ILE . 22.5 m-85 -123.92 98.86 5.99 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.3 mp -117.46 144.65 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.976 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.707 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 7.8 t70 -74.76 143.23 44.15 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.554 179.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.42 -19.87 16.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.913 0.387 . . . . 0.0 110.684 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -63.73 -50.7 68.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.059 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -139.1 23.98 2.56 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.707 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 64.1 pttt 52.87 32.44 12.46 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.363 1.065 . . . . 0.0 112.236 178.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -65.47 123.64 20.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.242 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.8 mt -72.83 101.11 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.369 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.9 mt -81.52 -65.34 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.623 -176.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -161.45 141.22 10.42 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.41 -0.516 . . . . 0.0 112.235 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -140.38 121.25 14.49 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -147.31 171.95 14.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.316 0.579 . . . . 0.0 112.184 -175.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -66.19 145.3 55.94 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.869 177.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.4 tt -63.25 -31.17 51.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.168 0.509 . . . . 0.0 110.62 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -68.86 -8.58 45.16 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.384 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -16.24 57.72 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.064 0.459 . . . . 0.0 109.847 178.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.5 mt -82.32 138.72 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.867 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.5 m -92.6 -42.79 9.47 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.522 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.7 t -164.47 170.47 15.89 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.814 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.28 121.4 16.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.211 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.58 179.45 5.93 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.435 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -148.65 173.92 12.7 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.593 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 11.1 t70 -70.94 131.36 87.44 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 31.6 Cg_exo -58.94 -27.13 83.77 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 123.074 2.516 . . . . 0.0 114.199 -176.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.441 ' HG3' HH12 ' A' ' 48' ' ' ARG . 7.9 pt-20 -115.6 -34.0 5.02 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.371 -0.532 . . . . 0.0 112.081 -178.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.593 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 21.0 t70 -102.13 96.19 6.83 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-O 121.22 0.533 . . . . 0.0 109.959 179.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -75.05 12.34 0.91 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.532 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.403 ' HB2' HG22 ' A' ' 127' ' ' VAL . 7.4 t -104.71 12.06 33.28 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 m -130.14 123.06 29.45 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.826 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.47 ' HB2' HD11 ' A' ' 134' ' ' ILE . 44.4 p90 -121.79 145.96 47.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.005 0.431 . . . . 0.0 110.826 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 121' ' ' VAL . . . -138.74 111.97 8.03 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.724 -178.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -103.86 144.31 31.67 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 120.961 0.41 . . . . 0.0 110.225 178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.553 HD13 HD21 ' A' ' 34' ' ' LEU . 61.1 mt -106.1 125.3 61.71 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.191 -178.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.9 p -114.17 149.49 35.62 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 123.676 0.61 . . . . 0.0 110.569 178.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.7 pttp -107.11 99.34 8.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.25 0.548 . . . . 0.0 110.815 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.536 ' OD2' ' HB2' ' A' ' 113' ' ' LYS . 24.2 t70 -100.81 97.67 8.26 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.94 -178.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -60.23 -19.51 54.85 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.73 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.536 ' HB2' ' OD2' ' A' ' 111' ' ' ASP . 1.9 mtpm? -66.96 -36.4 82.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.547 179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.2 t -98.09 -12.07 22.22 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.263 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 63.04 24.17 14.37 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.757 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -144.12 155.93 44.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.667 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -84.28 130.48 34.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.475 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -93.78 125.2 38.26 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.721 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 54.0 t -104.52 96.75 6.81 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -91.92 103.99 16.46 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' A' ' 26' ' ' LEU . 2.4 p -110.79 119.55 59.72 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.176 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.578 -178.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -126.34 156.93 39.68 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.82 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.45 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 40.2 p -102.93 164.47 11.6 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.409 ' CB ' ' HB2' ' A' ' 130' ' ' ALA . . . -121.46 160.02 25.04 Favored 'General case' 0 C--N 1.298 -1.639 0 CA-C-O 120.8 0.333 . . . . 0.0 110.505 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -87.52 -11.81 47.72 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.698 178.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -144.03 133.26 23.07 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.358 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.403 HG22 ' HB2' ' A' ' 103' ' ' SER . 57.3 t -61.62 -50.56 79.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.645 -178.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.58 -37.43 78.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.554 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.413 HD21 ' CB ' ' A' ' 21' ' ' TYR . 6.4 tt -60.12 -50.93 71.75 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.053 177.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.409 ' HB2' ' CB ' ' A' ' 124' ' ' ALA . . . -61.41 -44.22 97.51 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.839 0.352 . . . . 0.0 110.959 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.75 -34.23 76.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.395 178.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.59 -39.63 88.51 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.613 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 70.0 mt -62.12 -47.17 94.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.098 177.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.47 HD11 ' HB2' ' A' ' 105' ' ' PHE . 40.5 mm -60.35 -43.07 92.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-O 121.136 0.493 . . . . 0.0 110.414 177.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.77 -50.66 72.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.716 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 56.1 m -60.16 -50.64 72.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.284 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.454 HD23 HG21 ' A' ' 68' ' ' VAL . 69.0 mt -54.91 -47.81 73.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.656 0.265 . . . . 0.0 111.01 179.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.465 ' O ' ' HB2' ' A' ' 142' ' ' GLU . . . -60.05 -53.28 47.04 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.315 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -60.88 -49.39 77.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.893 0.378 . . . . 0.0 111.257 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.71 -45.7 93.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.897 -177.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -71.13 -32.11 68.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.794 0.331 . . . . 0.0 110.865 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' ' 138' ' ' GLY . 2.5 tp10 -71.72 -45.34 62.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.623 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.469 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 7.5 p -69.63 -22.6 25.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-O 121.047 0.451 . . . . 0.0 110.762 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -79.85 -14.82 58.38 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.209 0.528 . . . . 0.0 110.209 177.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -84.5 -32.74 23.79 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.75 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 143' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.596 -0.716 . . . . 0.0 110.985 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 121.05 0.452 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -145.63 -69.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.69 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.9 mt -102.35 115.1 29.88 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.3 mt -43.58 -41.88 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -173.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.45 -23.32 13.18 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -174.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -99.26 -2.66 36.0 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.919 0.39 . . . . 0.0 111.444 -176.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 68' ' ' VAL . 39.6 p -162.75 123.4 2.42 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.741 179.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.7 p -148.14 158.71 44.23 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 120.76 0.314 . . . . 0.0 111.084 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -121.18 105.27 10.43 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 132' ' ' GLU . 49.1 m-85 -118.23 133.22 56.08 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 120.767 0.318 . . . . 0.0 111.091 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -79.67 111.5 16.03 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 121.145 0.498 . . . . 0.0 110.931 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -107.24 164.97 11.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.478 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' HB3' ' OG1' ' A' ' 123' ' ' THR . . . -99.89 126.13 45.98 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.483 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 5.4 t80 -72.37 100.74 2.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.626 -177.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.0 tp -84.29 -57.4 3.18 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.56 145.13 6.18 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 119.257 -1.449 . . . . 0.0 113.894 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -106.23 108.73 20.39 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 175.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.7 tpp -110.79 139.51 46.02 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.028 0.442 . . . . 0.0 111.737 -174.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -92.19 117.19 29.63 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.748 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mm -106.73 164.31 4.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -80.34 -141.48 0.04 OUTLIER 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -77.67 75.86 4.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.426 0.632 . . . . 0.0 111.004 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.5 ' HB3' ' OG ' ' A' ' 39' ' ' SER . 1.6 mm? -107.83 114.63 28.72 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.88 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -117.64 29.87 7.6 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.102 -174.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -146.01 -179.75 22.44 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.735 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.0 p -75.72 -3.28 33.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.226 0.536 . . . . 0.0 111.171 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.28 -38.63 74.23 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.5 ' OG ' ' HB3' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -65.8 -48.16 72.7 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.641 -179.151 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.444 HG23 HD11 ' A' ' 108' ' ' ILE . 15.2 p -61.52 -45.98 91.9 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.8 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -64.48 -43.03 95.47 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.347 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.647 ' OD2' ' HE2' ' A' ' 46' ' ' LYS . 31.4 t70 -64.0 -57.04 10.88 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.24 -177.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.67 -51.84 68.07 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.38 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.5 t -57.94 -42.35 84.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.494 -178.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.34 95.01 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.877 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.647 ' HE2' ' OD2' ' A' ' 42' ' ' ASP . 68.7 mttm -56.88 -60.53 3.43 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.6 178.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -64.87 -39.44 93.55 Favored 'General case' 0 CA--C 1.513 -0.452 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.986 -178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.2 ttm-85 -56.16 -40.78 74.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.801 0.334 . . . . 0.0 111.138 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.81 -27.29 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -93.47 -4.52 51.05 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.483 ' HA ' ' OG1' ' A' ' 55' ' ' THR . 30.9 p -74.4 20.21 0.12 Allowed 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -90.27 -14.19 33.8 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 120.799 0.333 . . . . 0.0 110.724 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -161.27 147.63 14.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.495 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.8 t 62.34 32.26 17.01 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.63 177.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.483 ' OG1' ' HA ' ' A' ' 51' ' ' CYS . 1.3 m -114.59 30.77 7.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.928 0.394 . . . . 0.0 110.109 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.29 -152.12 0.4 Allowed 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -178.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -75.27 84.24 2.43 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 174.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.433 ' HE2' ' HB2' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -59.61 -43.37 93.77 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.987 -175.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -78.35 8.14 5.49 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.067 -177.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -162.22 59.83 0.23 Allowed 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.324 0.583 . . . . 0.0 109.854 176.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.401 ' CG2' ' HB1' ' A' ' 24' ' ' ALA . 27.8 m -69.62 155.59 93.23 Favored Pre-proline 0 C--O 1.244 0.766 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.681 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -53.46 129.56 34.33 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.571 2.18 . . . . 0.0 111.64 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.2 m -82.9 123.89 29.82 Favored 'General case' 0 N--CA 1.435 -1.188 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -109.1 121.72 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.114 -179.002 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 54.8 mt -75.88 105.8 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.285 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.84 91.51 3.54 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.836 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.51 ' HB2' ' HG2' ' A' ' 74' ' ' LYS . 70.2 m -99.51 96.65 7.82 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-O 121.678 0.752 . . . . 0.0 111.133 -177.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 18' ' ' SER . 1.6 p -98.56 124.38 51.68 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.9 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.6 t -129.32 171.93 12.0 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.227 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.34 104.97 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.072 -177.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.7 mttp 69.9 0.9 3.23 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.952 0.901 . . . . 0.0 112.809 178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -143.14 117.68 1.14 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.162 -1.018 . . . . 0.0 112.359 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.406 HG22 HG23 ' A' ' 68' ' ' VAL . 45.3 t -113.91 131.49 65.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.054 0 CA-C-O 121.099 0.476 . . . . 0.0 110.487 -179.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.51 ' HG2' ' HB2' ' A' ' 67' ' ' SER . 0.2 OUTLIER -126.41 135.34 51.29 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 121.558 0.694 . . . . 0.0 111.085 -179.249 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.632 ' HB3' HD11 ' A' ' 64' ' ' ILE . 12.7 m-85 -110.82 117.53 33.66 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.551 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.2 mt -124.37 154.13 31.36 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.934 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.427 -175.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.651 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 27.5 t70 -80.47 150.71 29.6 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.02 -43.44 13.13 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.8 m -77.87 -49.84 13.44 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -175.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -91.3 -17.66 25.58 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 121.023 0.44 . . . . 0.0 110.316 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 58.2 mttm 61.47 23.57 13.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.055 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -74.71 138.81 43.02 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.546 -1.207 . . . . 0.0 109.351 178.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.464 HD11 ' HG3' ' A' ' 86' ' ' GLU . 9.7 tp -72.7 128.76 35.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.857 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 42.3 mm -85.65 -55.24 6.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -175.34 151.89 1.31 Allowed 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.375 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.464 ' HG3' HD11 ' A' ' 83' ' ' ILE . 3.6 mp0 -128.53 133.38 48.4 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -147.78 164.65 32.96 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 120.862 0.363 . . . . 0.0 110.67 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -88.16 165.27 15.21 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.052 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.3 mm -59.75 -30.4 44.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.02 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.444 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 1.4 mmp_? -63.41 -18.75 64.04 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.504 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 109' ' ' THR . 19.8 m120 -84.9 -25.83 27.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.782 0.325 . . . . 0.0 110.501 178.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 54.2 mt -89.39 107.19 17.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 -178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.2 t -102.04 -34.09 9.46 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.484 -177.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 33.6 m -127.69 110.45 12.67 Favored 'General case' 0 C--O 1.22 -0.489 0 C-N-CA 119.773 -0.771 . . . . 0.0 111.967 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.71 97.67 7.36 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -121.0 -176.62 3.31 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.874 0.369 . . . . 0.0 110.551 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.521 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 5.1 pm0 -134.19 172.93 12.17 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.122 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.556 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 10.4 t70 -63.52 139.33 97.58 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.628 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -56.53 -39.52 90.73 Favored 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 123.434 2.756 . . . . 0.0 114.167 -178.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -105.74 -29.73 9.88 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -175.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.556 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 37.4 t70 -113.92 124.09 51.35 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-O 121.12 0.486 . . . . 0.0 111.715 -177.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -84.49 -1.31 55.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.934 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.7 t -96.89 13.61 28.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.32 0.581 . . . . 0.0 110.092 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.422 ' HB ' ' HB2' ' A' ' 98' ' ' ASP . 28.5 m -132.93 131.58 41.02 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.586 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.521 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 39.8 p90 -123.63 149.91 44.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.983 0.42 . . . . 0.0 111.061 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.75 125.99 16.51 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.067 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 41.8 p90 -120.12 141.71 49.57 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 121.038 0.447 . . . . 0.0 111.112 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.444 HD11 HG23 ' A' ' 40' ' ' THR . 31.5 mt -105.94 122.42 59.52 Favored 'Isoleucine or valine' 0 C--O 1.255 1.37 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.869 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 91' ' ' ASN . 13.4 p -111.12 130.0 55.76 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.151 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.54 112.25 24.07 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.159 0.504 . . . . 0.0 111.186 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -103.8 108.42 19.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.245 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.6 pp -68.76 -1.3 6.75 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -98.31 -18.99 18.05 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.749 177.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.463 ' O ' ' HB3' ' A' ' 115' ' ' ASN . 39.9 t -106.42 -28.83 10.1 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.463 ' HB3' ' O ' ' A' ' 114' ' ' SER . 34.7 t-20 77.39 -33.25 0.19 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -176.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.457 ' H ' ' C ' ' A' ' 114' ' ' SER . 54.2 m-70 -79.67 138.96 37.52 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.521 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -89.7 120.57 31.08 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.096 0.474 . . . . 0.0 110.609 -178.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -76.37 115.15 15.85 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.179 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 49.7 t -107.95 109.52 21.03 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 60.6 m-70 -105.27 116.08 31.34 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -178.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.18 126.09 67.42 Favored 'Isoleucine or valine' 0 C--O 1.25 1.096 0 CA-C-O 121.207 0.527 . . . . 0.0 110.33 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 24.8 m-85 -128.92 143.3 50.85 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.79 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.458 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 41.4 p -98.12 137.13 37.35 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.149 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -94.44 151.86 19.05 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -82.55 -1.73 51.52 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.471 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.441 ' HB3' ' HB2' ' A' ' 129' ' ' LEU . 12.7 t70 -159.83 147.36 16.76 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.905 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.98 -40.57 89.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.819 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.474 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 57.7 t30 -65.39 -36.85 85.21 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.441 ' HB2' ' HB3' ' A' ' 126' ' ' ASP . 2.2 tm? -59.95 -46.55 89.03 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.138 178.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.04 99.82 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.564 177.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.3 91.7 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.593 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.534 ' HB3' ' CE2' ' A' ' 21' ' ' TYR . 56.3 mm-40 -57.34 -49.85 74.84 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.596 177.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.0 mt -62.46 -47.41 93.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 21.0 mm -57.85 -46.93 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-O 120.834 0.349 . . . . 0.0 110.451 178.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.5 tt -59.53 -53.22 60.61 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.012 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 8.8 m -61.42 -46.5 89.88 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.549 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.2 -45.37 93.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.917 0.389 . . . . 0.0 110.78 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -61.99 -48.91 80.29 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.433 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.63 -39.1 93.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.549 0.214 . . . . 0.0 111.38 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.36 99.26 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.845 0.355 . . . . 0.0 110.58 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -69.24 -40.31 77.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.636 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -63.17 -55.61 23.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.786 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 8.7 p -64.99 -29.49 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.781 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -80.23 -11.62 59.71 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.896 0.379 . . . . 0.0 111.297 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -85.94 -20.04 29.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.195 0.522 . . . . 0.0 109.805 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 . . . . . 0 C--O 1.254 1.33 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.206 -178.362 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.466 -0.198 . . . . 0.0 110.466 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 77.23 5.97 3.13 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.634 0.774 . . . . 0.0 111.94 -179.409 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.7 tp -91.59 145.7 24.39 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 175.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.9 tt -56.15 -20.47 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -177.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.92 -4.19 15.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.691 0.281 . . . . 0.0 111.592 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -118.12 -5.48 10.94 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.137 0.494 . . . . 0.0 110.8 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.0 p -155.73 136.21 13.25 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.016 178.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 21' ' ' TYR . 87.3 m -109.18 109.29 20.21 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.325 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -104.38 106.05 16.4 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.152 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 19' ' ' CYS . 39.0 m-85 -129.89 178.38 6.56 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.619 0.247 . . . . 0.0 110.779 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -110.8 128.13 55.64 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.99 162.83 22.63 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.53 ' HB3' ' OG1' ' A' ' 123' ' ' THR . . . -102.32 129.14 48.67 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.435 ' HA ' ' CD1' ' A' ' 122' ' ' PHE . 2.9 t80 -73.6 95.09 2.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -176.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 tp -81.88 -57.75 3.29 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.356 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.56 163.66 30.23 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 118.933 -1.603 . . . . 0.0 114.023 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.7 p -118.51 102.84 9.21 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 176.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.5 tpp -98.71 134.33 41.78 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.63 -174.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.52 HD21 ' CG ' ' A' ' 116' ' ' HIS . 6.0 tt -90.68 121.18 32.35 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.886 -178.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.423 HG21 ' HB3' ' A' ' 39' ' ' SER . 17.0 mm -114.46 127.65 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.894 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -84.53 -40.22 17.87 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.888 0.375 . . . . 0.0 110.42 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -119.2 112.89 20.06 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.372 0.606 . . . . 0.0 110.794 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 117' ' ' HIS . 3.2 mm? -86.2 99.87 11.84 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.869 -177.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -94.68 81.4 3.85 Favored 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.16 -136.21 49.82 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.369 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.2 p -95.49 -7.69 37.39 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.156 0.503 . . . . 0.0 109.833 178.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -56.63 -39.14 73.13 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.361 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.423 ' HB3' HG21 ' A' ' 31' ' ' ILE . 26.1 m -62.41 -48.36 80.04 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-O 120.887 0.375 . . . . 0.0 111.11 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.3 p -63.69 -37.24 86.62 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.234 0.54 . . . . 0.0 110.397 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -74.74 -27.92 60.56 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.878 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.62 -52.41 60.97 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.04 95.02 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.54 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.559 ' SG ' ' HB2' ' A' ' 98' ' ' ASP . 42.2 t -59.15 -61.01 2.96 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.49 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.6 -40.05 74.64 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 120.666 0.27 . . . . 0.0 111.107 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -55.37 -55.37 32.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.719 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 61.6 mtm -75.94 -28.75 58.09 Favored 'General case' 0 C--O 1.211 -0.934 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -64.06 -45.21 89.78 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.901 0.382 . . . . 0.0 109.982 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.06 63.71 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.486 ' O ' ' HA ' ' A' ' 54' ' ' SER . 95.6 m-20 -91.02 -0.71 57.8 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 51.0 t -66.8 -37.36 84.4 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -79.34 127.08 31.64 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 173.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 81.8 tttt 63.32 37.25 11.08 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -174.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 25.9 t -58.53 158.49 7.59 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 114.735 -1.121 . . . . 0.0 111.641 -178.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.6 m -53.27 -45.84 69.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.482 179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -96.76 15.17 22.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.199 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 48.39 25.06 0.81 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.577 1.151 . . . . 0.0 112.872 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -89.26 114.93 26.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.701 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.658 ' HD3' ' H ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -104.39 -21.42 13.48 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.04 -177.065 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.52 ' O ' HG22 ' A' ' 61' ' ' VAL . 8.9 mtpm? -102.05 -32.61 10.07 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.963 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.524 ' HB ' ' HD2' ' A' ' 62' ' ' PRO . 3.9 m 57.48 155.98 0.08 OUTLIER Pre-proline 0 N--CA 1.492 1.654 0 C-N-CA 124.956 1.302 . . . . 0.0 113.163 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.524 ' HD2' ' HB ' ' A' ' 61' ' ' VAL . 6.4 Cg_endo -49.48 129.61 23.49 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 123.144 2.563 . . . . 0.0 113.29 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.1 m -83.99 128.33 34.47 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.28 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.544 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -119.12 131.88 70.6 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.642 -179.547 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 53.5 mt -77.56 109.76 12.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 CA-C-O 121.249 0.547 . . . . 0.0 109.767 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.93 97.13 10.77 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.525 -177.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.416 ' HB2' ' HB2' ' A' ' 74' ' ' LYS . 34.4 m -104.35 104.93 14.89 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.395 0.616 . . . . 0.0 110.464 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.41 HG13 ' HB2' ' A' ' 19' ' ' CYS . 2.4 p -109.41 120.61 60.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.197 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 m -121.95 153.29 38.69 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.11 -13.34 47.05 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -119.15 20.88 12.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.855 0.36 . . . . 0.0 110.895 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 146.48 160.56 8.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 119.933 -1.127 . . . . 0.0 112.739 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.408 HG11 HD11 ' A' ' 92' ' ' ILE . 18.4 m -120.25 142.39 36.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-O 121.242 0.544 . . . . 0.0 111.453 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' HB2' ' HB2' ' A' ' 67' ' ' SER . 18.9 mmmt -128.01 120.74 28.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.096 -177.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.544 ' HB3' HD11 ' A' ' 64' ' ' ILE . 12.4 m-85 -114.92 111.23 20.85 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.4 ' O ' HG12 ' A' ' 64' ' ' ILE . 3.3 mp -119.71 145.09 26.46 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.735 -177.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.597 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 8.0 t70 -75.7 141.18 42.76 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.265 177.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.36 12.19 37.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.777 0.322 . . . . 0.0 111.809 -178.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 m -98.98 -58.56 1.91 Allowed 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.308 0.575 . . . . 0.0 110.389 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -124.01 16.24 9.26 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.014 -178.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.597 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 11.3 ptmm? 53.56 30.08 10.18 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.616 1.167 . . . . 0.0 111.983 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -71.01 132.83 45.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.397 178.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.3 mm -68.85 111.55 3.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-O 120.896 0.379 . . . . 0.0 110.268 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.49 ' HB ' ' O ' ' A' ' 75' ' ' PHE . 47.7 mm -67.83 -63.31 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -175.22 141.09 0.53 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.607 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.43 140.11 47.44 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 173.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -140.6 152.38 45.42 Favored 'General case' 0 C--N 1.311 -1.093 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.296 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.41 153.01 44.22 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 174.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.0 tp -59.85 -40.17 81.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.771 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.8 mtt-85 -71.54 -3.53 21.78 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -72.61 -28.03 62.52 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.408 HD11 HG11 ' A' ' 73' ' ' VAL . 27.2 mt -79.94 130.47 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 t -93.97 -40.48 10.1 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.746 -177.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.1 t -163.66 170.25 17.37 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.975 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.87 130.98 34.69 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.725 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.59 -178.46 5.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.41 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -152.92 165.29 35.95 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.825 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.675 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 14.1 t70 -64.24 141.78 98.19 Favored Pre-proline 0 N--CA 1.469 0.499 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -178.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 23.6 Cg_exo -63.95 -37.17 45.34 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.811 2.34 . . . . 0.0 113.453 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -108.11 -34.7 6.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -176.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.675 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 12.7 t70 -100.58 104.18 15.52 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-O 121.125 0.488 . . . . 0.0 110.243 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.03 0.7 34.62 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.744 -176.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.0 p -98.89 17.36 19.73 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.026 0.441 . . . . 0.0 110.591 177.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.0 m -132.48 118.27 19.09 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 122' ' ' PHE . 40.8 p90 -116.98 147.07 42.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.974 -178.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -138.9 111.34 7.53 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -107.5 143.44 35.89 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.049 0.452 . . . . 0.0 110.735 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 57.3 mt -98.1 125.34 51.39 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.205 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 64.0 p -119.35 164.95 14.93 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -110.98 135.91 50.78 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.019 178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -109.92 97.18 6.75 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.534 HD23 ' H ' ' A' ' 112' ' ' LEU . 2.5 pt? -61.92 -9.41 6.9 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -175.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.413 ' HD2' ' HG ' ' A' ' 112' ' ' LEU . 2.1 mptm? -92.15 -32.03 15.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.123 0.487 . . . . 0.0 110.448 177.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.4 t -91.57 -22.78 20.15 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 19.7 m120 66.15 28.23 10.22 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.798 -178.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.52 ' CG ' HD21 ' A' ' 30' ' ' LEU . 36.0 m80 -129.42 170.08 14.12 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.697 -178.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.461 ' HB2' HD21 ' A' ' 34' ' ' LEU . 12.3 m170 -103.75 124.29 48.62 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.7 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -104.47 119.2 38.42 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.806 -178.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 23.0 p -91.35 108.13 19.68 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.435 ' HB3' ' CE2' ' A' ' 122' ' ' PHE . 66.0 m80 -89.92 104.86 17.39 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.99 -178.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.6 p -104.18 126.83 58.81 Favored 'Isoleucine or valine' 0 C--O 1.25 1.086 0 CA-C-O 121.543 0.687 . . . . 0.0 110.87 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 98.9 m-85 -127.5 145.88 50.69 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.199 -178.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.53 ' OG1' ' HB3' ' A' ' 24' ' ' ALA . 5.1 p -99.09 130.97 45.45 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.36 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -96.52 144.67 26.39 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -81.05 2.17 28.28 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.357 0.599 . . . . 0.0 109.882 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.473 ' HB3' ' HB2' ' A' ' 129' ' ' LEU . 17.7 t70 -151.99 131.46 12.98 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.894 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.5 t -61.24 -45.39 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-O 121.026 0.441 . . . . 0.0 111.187 -178.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.615 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 3.6 t30 -61.3 -44.42 97.25 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.019 178.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.516 HD21 ' CG ' ' A' ' 21' ' ' TYR . 3.2 tm? -54.36 -45.3 72.74 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.32 179.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.22 95.51 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.456 177.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.11 -38.99 88.27 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.942 178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 128' ' ' ASN . 7.1 mm-40 -60.3 -48.83 80.06 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.309 178.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.47 -46.0 89.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.914 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.445 HD11 ' HB2' ' A' ' 105' ' ' PHE . 37.2 mm -60.34 -43.99 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.056 0.455 . . . . 0.0 110.215 177.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.17 -43.76 98.37 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.025 178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 27.7 m -61.66 -49.81 75.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.714 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.76 -44.77 96.32 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.062 0.458 . . . . 0.0 110.39 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.01 -45.24 94.03 Favored Glycine 0 N--CA 1.443 -0.833 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.14 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . 0.445 ' HA ' ' HB2' ' A' ' 142' ' ' GLU . 86.2 mm-40 -70.02 -28.61 65.63 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 120.39 0.138 . . . . 0.0 111.255 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.93 97.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.946 0.403 . . . . 0.0 109.967 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -72.15 -41.92 66.55 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.473 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 139' ' ' GLN . 9.0 mm-40 -58.37 -48.21 81.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.894 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 9.7 p -68.97 -10.25 13.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-O 120.989 0.424 . . . . 0.0 111.38 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -84.0 -20.34 32.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.17 0.509 . . . . 0.0 110.125 177.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -103.18 -44.69 5.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.588 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 . . . . . 0 C--O 1.252 1.232 0 CA-C-O 118.596 -0.716 . . . . 0.0 110.926 -178.18 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 . . . . . 0 N--CA 1.481 1.125 0 CA-C-O 120.599 0.238 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -74.11 121.77 21.67 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -31.55 72.77 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -175.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.537 HD13 ' N ' ' A' ' 16' ' ' ALA . 0.2 OUTLIER -64.21 134.21 29.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 110.127 -0.324 . . . . 0.0 110.127 -178.317 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.537 ' N ' HD13 ' A' ' 15' ' ' ILE . . . 74.29 -25.43 0.2 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.675 0.79 . . . . 0.0 112.726 178.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -99.25 -10.88 21.83 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.102 0.477 . . . . 0.0 110.34 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.7 t -161.91 164.04 28.8 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.504 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.411 ' SG ' HG21 ' A' ' 136' ' ' THR . 31.0 p -158.63 152.32 23.31 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.296 175.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -137.6 115.86 11.81 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.102 -177.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -133.17 175.97 8.92 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.716 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.441 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -111.14 110.68 21.31 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.221 0.534 . . . . 0.0 110.359 177.437 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.89 171.03 7.63 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.252 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.03 130.43 55.48 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.27 97.18 1.2 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.032 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.434 HD13 ' OG1' ' A' ' 123' ' ' THR . 14.2 tp -80.2 -60.07 2.47 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.322 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.422 ' HA3' ' SD ' ' A' ' 47' ' ' MET . . . -170.97 156.21 26.14 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 119.56 -1.305 . . . . 0.0 113.621 178.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t -123.66 105.51 9.77 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -113.58 138.63 49.9 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.028 0.442 . . . . 0.0 111.769 -175.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 116' ' ' HIS . 51.2 tp -108.47 127.55 54.01 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.564 179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mm -108.82 136.28 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 177.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -54.68 -67.44 0.27 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.577 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -142.33 126.67 17.65 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.551 HD13 ' H ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -157.34 153.31 27.15 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 -175.515 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.551 ' H ' HD13 ' A' ' 34' ' ' LEU . 37.7 ptt180 -134.47 145.94 49.3 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.8 0.333 . . . . 0.0 110.684 177.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.69 -177.13 52.45 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.967 -0.635 . . . . 0.0 113.25 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.435 ' O ' ' HG2' ' A' ' 41' ' ' GLN . 7.9 p -75.29 8.33 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.286 0.634 . . . . 0.0 111.633 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.527 ' HB3' HD11 ' A' ' 34' ' ' LEU . 47.4 tp10 -61.45 -36.49 80.52 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.15 178.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 m -62.93 -44.95 94.69 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-O 121.063 0.459 . . . . 0.0 110.83 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.562 ' HA ' ' SG ' ' A' ' 119' ' ' CYS . 44.9 p -67.68 -52.57 36.31 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.512 -176.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 37' ' ' THR . 19.8 pt20 -63.54 -37.55 87.72 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -178.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -64.29 -62.01 1.88 Allowed 'General case' 0 C--O 1.242 0.7 0 CA-C-O 120.919 0.39 . . . . 0.0 110.835 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.17 98.22 Favored 'General case' 0 C--O 1.245 0.819 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.012 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 98' ' ' ASP . 42.8 t -63.71 -50.72 68.06 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.217 -178.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.79 -43.46 85.63 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.742 0.306 . . . . 0.0 111.017 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -57.15 -53.82 53.8 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.965 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.422 ' SD ' ' HA3' ' A' ' 27' ' ' GLY . 66.0 mtm -72.98 -28.29 62.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -177.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.537 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 9.6 tpt180 -61.87 -50.93 70.25 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.82 -38.19 90.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.755 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -69.47 -29.33 66.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.666 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.1 t -76.95 -42.57 38.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.043 -179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 14.4 pt20 -77.39 82.3 3.85 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.552 0.692 . . . . 0.0 111.686 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -91.28 -2.42 57.42 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.226 176.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.7 t -148.55 -173.76 4.42 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 115.021 -0.99 . . . . 0.0 108.938 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.5 m -78.99 -58.66 3.12 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.086 0.469 . . . . 0.0 111.871 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' HB3' ' CE ' ' A' ' 58' ' ' MET . 7.8 tp10 -62.51 155.46 25.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.62 -176.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -68.29 103.85 1.7 Allowed 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.636 176.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.447 ' CE ' ' HB3' ' A' ' 56' ' ' GLU . 22.4 mmt -92.53 112.89 25.0 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.976 -176.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -84.26 76.47 10.1 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.298 0.57 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -95.48 14.18 23.54 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.706 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.9 m -121.6 155.16 59.94 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.213 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.3 153.98 24.58 Favored 'Trans proline' 0 C--O 1.239 0.534 0 C-N-CA 122.448 2.098 . . . . 0.0 112.256 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.8 m -86.87 136.57 32.91 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.662 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.455 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -126.39 129.14 71.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.833 -179.291 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.437 HD12 ' H ' ' A' ' 65' ' ' ILE . 4.3 mp -73.78 112.57 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.63 98.3 11.59 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.136 -179.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -109.41 108.75 19.4 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-O 121.271 0.558 . . . . 0.0 110.002 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.464 HG21 HD23 ' A' ' 137' ' ' LEU . 2.2 p -120.0 126.19 75.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.574 -177.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.8 m -130.62 157.74 41.93 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.562 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.36 -11.28 30.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.807 0.337 . . . . 0.0 111.792 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -107.02 -6.06 17.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.485 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 164.36 161.55 13.66 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.173 -1.013 . . . . 0.0 112.215 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.482 HG11 HD11 ' A' ' 92' ' ' ILE . 8.7 p -132.83 131.78 59.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-O 120.978 0.418 . . . . 0.0 110.302 -178.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HG3' ' HG3' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -122.53 141.23 51.89 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 121.119 0.485 . . . . 0.0 111.233 -177.608 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.455 ' HB3' HD11 ' A' ' 64' ' ' ILE . 10.0 m-85 -126.35 105.73 9.0 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.163 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.442 ' O ' HG12 ' A' ' 64' ' ' ILE . 3.3 mp -122.24 140.19 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.699 -178.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.651 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -74.96 147.05 41.19 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.828 178.828 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.38 -18.0 24.96 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.705 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -67.06 -65.03 0.73 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.07 -178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -118.48 3.92 11.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 59.8 mttp 68.93 33.53 3.49 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.971 -177.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -66.92 130.35 42.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.196 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.8 tp -81.17 105.33 10.95 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-O 121.281 0.562 . . . . 0.0 110.581 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.2 mp -67.25 -51.25 55.12 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.4 ' HB1' ' NE2' ' A' ' 87' ' ' HIS . . . -170.66 151.79 3.63 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.145 0.498 . . . . 0.0 112.082 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.421 ' HG3' ' HG3' ' A' ' 74' ' ' LYS . 34.4 tt0 -134.89 115.59 13.78 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 175.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.4 ' NE2' ' HB1' ' A' ' 85' ' ' ALA . 84.6 m-70 -137.6 166.43 23.94 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 120.915 0.388 . . . . 0.0 110.5 -177.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.492 ' HB3' ' OD1' ' A' ' 91' ' ' ASN . 43.4 tt0 -81.13 149.51 29.12 Favored 'General case' 0 N--CA 1.434 -1.247 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 173.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.547 HD13 ' O ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -58.63 -32.43 46.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 CA-C-O 121.222 0.534 . . . . 0.0 110.139 -177.783 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.458 ' H ' ' HG2' ' A' ' 88' ' ' GLU . 35.1 ttm105 -62.59 -21.76 65.86 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.456 178.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.492 ' OD1' ' HB3' ' A' ' 88' ' ' GLU . 16.1 m120 -73.96 -12.67 60.71 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.715 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.482 HD11 HG11 ' A' ' 73' ' ' VAL . 29.3 mt -85.39 102.03 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.3 t -69.73 -34.1 73.39 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.652 -175.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.7 t -153.37 135.93 15.15 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.113 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.07 118.03 31.74 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -133.89 -174.02 3.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . 21.1 pt20 -147.18 173.79 12.2 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.644 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 15.4 t70 -69.08 138.36 89.81 Favored Pre-proline 0 C--N 1.326 -0.439 0 C-N-CA 121.001 -0.279 . . . . 0.0 110.821 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 31.1 Cg_exo -60.74 -30.02 89.47 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 123.065 2.51 . . . . 0.0 114.372 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -113.66 -33.87 5.7 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -176.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.644 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 16.9 t70 -110.0 109.99 20.76 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.243 0.544 . . . . 0.0 110.651 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -85.37 15.79 4.16 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.057 -176.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t -99.75 1.49 43.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.983 0.421 . . . . 0.0 110.109 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.487 HG23 ' HB2' ' A' ' 98' ' ' ASP . 8.8 t -132.73 132.47 42.34 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.34 0.59 . . . . 0.0 110.588 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.419 ' HA ' ' HA ' ' A' ' 97' ' ' GLN . 42.2 p90 -114.16 149.86 35.04 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.913 -177.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 121' ' ' VAL . . . -138.09 123.76 19.81 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.859 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 120' ' ' HIS . 55.0 p90 -121.11 143.19 49.22 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 121.151 0.501 . . . . 0.0 111.156 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.459 HG21 ' CE1' ' A' ' 117' ' ' HIS . 30.7 mt -98.05 124.63 51.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.96 152.6 27.88 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.879 -173.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -137.15 119.09 15.27 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.464 ' OD1' ' HD3' ' A' ' 113' ' ' LYS . 7.2 t70 -149.96 175.65 11.49 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -175.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -23.51 63.85 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.991 0.424 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.527 ' H ' ' HD3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -109.86 18.36 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.718 0.77 . . . . 0.0 109.462 174.714 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.7 m -149.68 54.69 0.95 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.912 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -68.43 -27.28 66.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.879 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.506 ' HB2' HD11 ' A' ' 30' ' ' LEU . 79.6 m-70 -90.9 174.6 7.35 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.702 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.459 ' CE1' HG21 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -74.17 92.15 2.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.905 0.383 . . . . 0.0 111.696 -176.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.425 ' CE1' HD13 ' A' ' 30' ' ' LEU . 11.2 m-85 -87.38 118.56 26.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.79 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.562 ' SG ' ' HA ' ' A' ' 40' ' ' THR . 45.1 t -103.38 105.12 15.31 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 107' ' ' TYR . 50.4 m80 -104.92 112.6 25.78 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.649 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.409 ' HA ' ' HA ' ' A' ' 106' ' ' ALA . 3.8 p -116.37 127.46 73.97 Favored 'Isoleucine or valine' 0 C--O 1.248 1.008 0 CA-C-O 121.345 0.593 . . . . 0.0 111.3 -178.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 105' ' ' PHE . 27.5 m-85 -125.71 135.07 51.69 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.823 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.434 ' OG1' HD13 ' A' ' 26' ' ' LEU . 86.1 m -95.76 121.52 37.57 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.617 -177.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' A' ' 130' ' ' ALA . . . -87.51 148.03 25.1 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -72.06 -33.31 67.85 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.479 ' HB2' ' HB2' ' A' ' 129' ' ' LEU . 16.4 m-20 -113.99 134.82 54.59 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.261 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.48 -37.52 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.337 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -70.55 -31.02 67.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.123 0.487 . . . . 0.0 109.856 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 126' ' ' ASP . 7.2 tt -67.65 -41.85 83.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.056 177.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.425 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . . . -61.36 -45.12 95.72 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.033 177.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.63 -38.69 85.61 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.795 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.16 -46.53 88.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.187 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 63.0 mt -60.35 -44.21 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.634 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 41.0 mm -60.82 -42.25 91.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 110.455 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.3 tt -65.25 -44.46 88.06 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.411 HG21 ' SG ' ' A' ' 19' ' ' CYS . 25.6 m -61.09 -51.17 70.28 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.471 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.464 HD23 HG21 ' A' ' 68' ' ' VAL . 92.3 mt -55.98 -48.87 75.05 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.925 0.393 . . . . 0.0 110.681 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.78 -49.14 80.79 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.847 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -68.94 -35.39 76.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.938 0.399 . . . . 0.0 111.161 -178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 143' ' ' VAL . . . -68.2 -33.37 74.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.174 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -82.37 -37.69 25.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.254 0.55 . . . . 0.0 109.999 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -65.13 -35.62 81.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.327 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 140' ' ' ALA . 9.9 p -67.64 -16.04 20.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-O 120.96 0.41 . . . . 0.0 111.477 -178.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -87.16 -12.54 46.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.26 0.552 . . . . 0.0 110.253 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -109.07 -47.39 3.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.157 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--N 1.317 -0.824 0 CA-C-O 118.528 -0.749 . . . . 0.0 109.91 179.728 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.912 0.387 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -77.16 138.27 39.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.24 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 mp -72.47 -39.09 68.0 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.256 -176.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -67.47 0.61 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.79 -2.9 12.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.957 0.408 . . . . 0.0 110.623 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -129.66 -13.93 4.17 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 111.113 -178.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 m -119.73 159.69 24.01 Favored 'General case' 0 C--N 1.305 -1.339 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.973 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.8 m -98.65 98.03 9.23 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.5 97.55 11.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -97.46 173.1 7.34 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.915 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -134.37 129.43 35.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.791 0.329 . . . . 0.0 110.29 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -138.28 176.06 9.03 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.713 ' HB1' HG23 ' A' ' 61' ' ' VAL . . . -99.89 122.93 43.57 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 178.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.05 92.71 2.17 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -178.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.483 ' HB3' HG13 ' A' ' 121' ' ' VAL . 38.2 tp -66.18 -51.98 52.62 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.856 -178.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' O ' HG12 ' A' ' 121' ' ' VAL . . . 173.34 148.37 6.34 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 118.905 -1.617 . . . . 0.0 114.266 176.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 p -98.5 89.89 4.57 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 174.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.1 tpp -90.09 140.71 29.39 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.384 -173.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.44 HD13 ' CE1' ' A' ' 118' ' ' TYR . 20.6 tp -93.87 127.99 39.91 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.742 -177.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.547 HD11 ' SG ' ' A' ' 119' ' ' CYS . 27.5 mm -104.37 122.79 57.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.039 -177.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -66.75 -26.94 67.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.417 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.451 ' H ' HG22 ' A' ' 31' ' ' ILE . 9.6 pt-20 -140.48 106.37 5.17 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.196 0.522 . . . . 0.0 110.522 179.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.521 HD13 ' H ' ' A' ' 36' ' ' GLY . 0.6 OUTLIER -74.9 95.12 2.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.313 0.577 . . . . 0.0 109.755 -178.37 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.451 ' HD2' ' OE1' ' A' ' 33' ' ' GLU . 29.9 mtp180 -100.69 36.58 1.89 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.527 -177.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.521 ' H ' HD13 ' A' ' 34' ' ' LEU . . . 75.82 -142.47 28.77 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.468 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.6 p -70.41 -16.6 62.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.294 0.569 . . . . 0.0 110.952 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -56.92 -42.59 80.23 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.589 176.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.455 ' HB3' HG21 ' A' ' 31' ' ' ILE . 1.1 m -60.05 -50.42 73.78 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.292 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.8 p -63.94 -39.74 94.84 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.151 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -67.95 -40.5 83.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.449 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 46' ' ' LYS . 26.9 t70 -62.13 -49.89 74.08 Favored 'General case' 0 CA--C 1.512 -0.482 0 CA-C-O 121.118 0.485 . . . . 0.0 110.018 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.06 85.4 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.588 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 33.7 t -59.94 -55.2 37.08 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.904 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.02 -41.65 83.63 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.922 0.391 . . . . 0.0 110.967 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 15.4 ttmm -57.66 -59.22 5.52 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.644 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 46.5 mtm -66.4 -37.11 84.5 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.716 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.6 ttt-85 -57.71 -49.26 77.13 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.573 ' O ' ' HG2' ' A' ' 53' ' ' LYS . . . -64.24 -42.71 96.42 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.863 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.94 -33.22 75.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.687 -179.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 48.7 t -78.67 -30.04 46.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.688 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -79.86 -11.2 59.83 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.965 0.412 . . . . 0.0 111.258 -179.641 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 29.8 mmmt -73.37 -177.16 2.48 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.4 m -79.43 70.01 5.79 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.334 0.587 . . . . 0.0 109.522 176.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.5 m -118.24 101.38 8.16 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.438 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -72.62 -16.07 61.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.503 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.93 -26.6 67.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.037 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -149.98 105.47 3.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.424 0.63 . . . . 0.0 111.394 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -134.3 -38.52 0.85 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.415 178.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -136.13 92.03 2.75 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.093 176.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.713 HG23 ' HB1' ' A' ' 24' ' ' ALA . 28.0 m -76.25 150.39 82.8 Favored Pre-proline 0 C--N 1.307 -1.257 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.262 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -53.32 139.89 63.43 Favored 'Trans proline' 0 C--O 1.239 0.552 0 C-N-CA 123.164 2.576 . . . . 0.0 113.508 -177.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.7 m -76.29 140.58 41.58 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.504 178.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.8 HD11 ' HB3' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -131.9 139.0 51.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.148 -177.015 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 65' ' ' ILE . 3.6 mp -86.1 111.92 21.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.305 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.3 mt -95.98 97.68 9.8 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.482 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.3 t -100.47 119.69 38.86 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-O 121.24 0.543 . . . . 0.0 110.651 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.5 p -117.35 131.39 70.22 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.755 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.9 p -142.39 176.78 8.74 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.544 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.62 113.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HA ' ' CG2' ' A' ' 89' ' ' ILE . 0.0 OUTLIER 51.6 21.92 1.44 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.663 1.185 . . . . 0.0 113.641 179.671 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -149.14 136.38 5.78 Favored Glycine 0 CA--C 1.512 -0.148 0 C-N-CA 120.035 -1.079 . . . . 0.0 112.741 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.7 m -138.96 137.74 42.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 CA-C-O 121.217 0.532 . . . . 0.0 111.1 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.504 ' CD ' HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -139.16 142.36 37.98 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.112 0.482 . . . . 0.0 110.975 178.336 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.8 ' HB3' HD11 ' A' ' 64' ' ' ILE . 18.8 m-85 -129.4 120.45 25.54 Favored 'General case' 0 C--O 1.25 1.122 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.594 -173.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.504 HD11 ' CD ' ' A' ' 74' ' ' LYS . 0.6 OUTLIER -125.0 144.19 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.568 -179.025 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.593 ' O ' ' HA ' ' A' ' 81' ' ' LYS . 1.2 t70 -73.18 144.71 46.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.236 176.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.74 -13.13 29.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.79 0.328 . . . . 0.0 111.871 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 m -70.62 -58.89 3.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.898 0.38 . . . . 0.0 111.069 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -126.01 7.82 7.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.625 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 77' ' ' ASP . 61.9 tttm 64.33 55.75 1.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.679 0.752 . . . . 0.0 110.282 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.422 ' H ' ' HB3' ' A' ' 77' ' ' ASP . 28.2 t-20 -84.8 130.22 34.7 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.443 179.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.6 mt -72.48 93.5 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 177.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 68.9 mt -76.09 -58.37 4.61 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.986 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -160.1 139.89 11.32 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.87 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -145.71 109.91 4.95 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.866 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -147.28 171.64 15.1 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 -177.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -67.08 159.66 28.32 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.422 ' CG2' ' HA ' ' A' ' 71' ' ' LYS . 12.5 tt -65.35 -19.24 25.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.582 -178.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -63.73 -17.53 63.11 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.294 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -68.25 -26.16 65.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.04 178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.0 mt -91.93 117.44 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.718 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.6 t -92.46 -25.41 18.45 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.833 -177.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 25.9 t -152.04 150.48 30.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.923 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -139.07 115.8 10.73 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -130.29 150.83 51.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.018 0.437 . . . . 0.0 111.059 -178.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.505 HE22 HD13 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -115.46 159.51 21.09 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 177.33 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.521 ' HB3' ' O ' ' A' ' 101' ' ' ASP . 10.1 t70 -71.97 124.45 90.89 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.897 0.379 . . . . 0.0 111.815 -176.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 23.2 Cg_exo -65.87 -34.71 38.4 Favored 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.954 2.436 . . . . 0.0 113.745 -178.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.483 ' HG2' ' OD1' ' A' ' 98' ' ' ASP . 11.0 pt-20 -94.07 -17.57 22.71 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 120.848 0.356 . . . . 0.0 111.64 -176.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.521 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 8.3 t70 -133.55 107.33 7.94 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.218 0.533 . . . . 0.0 110.161 177.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.505 HD13 HE22 ' A' ' 97' ' ' GLN . 4.0 mm? -78.12 7.59 6.01 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.335 -176.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.1 t -110.88 14.07 22.14 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.021 -178.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.409 HG23 ' CB ' ' A' ' 98' ' ' ASP . 5.9 t -145.43 156.75 43.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.827 0.346 . . . . 0.0 110.633 178.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -154.82 171.61 19.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.61 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -155.32 129.7 9.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.701 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -115.71 157.75 23.82 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.162 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 63.3 mt -113.7 125.85 71.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.626 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.89 152.12 22.32 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.744 177.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.421 ' HD3' ' O ' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -103.34 93.13 4.8 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.54 0.685 . . . . 0.0 111.949 -179.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.585 ' OD2' ' HB2' ' A' ' 114' ' ' SER . 8.0 p-10 -84.93 81.98 8.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.195 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.7 tp -70.84 -5.39 30.07 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.153 0.501 . . . . 0.0 110.593 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -93.29 -8.22 42.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.18 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.585 ' HB2' ' OD2' ' A' ' 111' ' ' ASP . 45.0 m -128.0 -32.16 2.32 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.329 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 16.6 m120 74.06 15.68 3.69 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 175.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -130.1 98.19 4.67 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 176.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.473 ' HA ' ' OD1' ' A' ' 111' ' ' ASP . 34.5 m80 -63.79 130.88 45.99 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 -171.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.44 ' CE1' HD13 ' A' ' 30' ' ' LEU . 83.8 m-85 -94.21 150.53 20.22 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.321 -1.309 . . . . 0.0 110.513 177.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.547 ' SG ' HD11 ' A' ' 31' ' ' ILE . 26.6 p -117.46 113.25 21.77 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 171.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -94.99 104.5 16.37 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -176.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.483 HG13 ' HB3' ' A' ' 26' ' ' LEU . 7.3 p -99.1 131.69 45.88 Favored 'Isoleucine or valine' 0 C--O 1.254 1.313 0 CA-C-O 121.3 0.571 . . . . 0.0 111.146 -178.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -132.96 133.41 43.15 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.714 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.6 t -107.76 135.44 49.17 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 130' ' ' ALA . . . -100.4 151.87 21.02 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.406 -178.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -86.01 11.67 11.09 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.473 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -156.82 135.89 11.91 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.78 -53.12 45.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.634 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -61.77 -39.64 92.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.653 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.523 ' O ' HG13 ' A' ' 133' ' ' ILE . 2.8 tm? -58.03 -48.52 79.82 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.733 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.457 ' HB2' ' HB3' ' A' ' 124' ' ' ALA . . . -61.47 -43.96 97.94 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 178.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.98 94.12 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.786 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -60.02 -42.99 95.53 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.107 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 129' ' ' LEU . 64.4 mt -56.83 -54.37 30.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.575 178.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 40.9 mm -59.3 -45.57 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.3 tt -60.29 -45.61 92.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.803 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.2 m -65.48 -41.79 92.93 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.454 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 70.8 mt -61.03 -49.01 79.12 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.253 177.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.18 -44.23 97.6 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.284 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -61.35 -50.45 72.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.911 0.386 . . . . 0.0 110.427 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.02 98.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.177 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -70.18 -25.74 63.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.619 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -76.6 -53.64 7.77 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.551 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 12.8 p -66.51 -27.68 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.412 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -75.57 -12.98 60.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.7 0.286 . . . . 0.0 111.477 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -89.2 -27.83 20.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.042 0.449 . . . . 0.0 110.334 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 . . . . . 0 C--O 1.25 1.107 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.842 -178.751 . . . . . . . . 0 0 . 1 stop_ save_